REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3d47_1_G DATA FIRST_RESID 1 DATA SEQUENCE MENIMTLPKI KHVRAWFIGG ATAEKGAGGG DYHDQGGNHW IDDHIATPMS DATA SEQUENCE KYRDYEQSRQ SFGINVLGTL IVEVEAENRQ TGFAVSTAGE MGCFIVEKHL DATA SEQUENCE NRFIEGKCVS DIKLIHDQML GATMYYSGSG GLVMNTISCV DLALWDLFGK DATA SEQUENCE VVGLPVYKLL GGAVRDEIQF YATGARPDLA KEMGFIGGKM PTHWGPHDGD DATA SEQUENCE AGIRKDAAMV ADMREKCGPD FWLMLDCWMS QDVNYATKLA HACAPFNLKW DATA SEQUENCE IEECLPPQQY EGYRELKRNA PAGMMVTSGE HHGTLQSFRT LAETGIDIMQ DATA SEQUENCE PDVGWCGGLT TLVEIAALAK SRGQLVVPHG SSVYSHHAVI TFTNTPFSEF DATA SEQUENCE LMTSPDCSTL RPQFDPILLD EPVPVNGRIH KSVLDKPGFG VELNRDCHLK DATA SEQUENCE RPYSH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 E N 1.864 122.067 120.200 0.005 0.000 2.404 2 E HA 0.238 4.588 4.350 -0.000 0.000 0.261 2 E C 0.035 176.639 176.600 0.007 0.000 1.074 2 E CA -0.441 55.962 56.400 0.005 0.000 0.917 2 E CB 0.920 30.623 29.700 0.005 0.000 0.965 2 E HN 0.366 nan 8.360 nan 0.000 0.433 3 N N 2.103 120.807 118.700 0.007 0.000 2.518 3 N HA 0.085 4.825 4.740 -0.000 0.000 0.266 3 N C 0.222 175.738 175.510 0.010 0.000 1.196 3 N CA -0.077 52.977 53.050 0.008 0.000 0.947 3 N CB 0.504 38.996 38.487 0.007 0.000 1.098 3 N HN 0.422 nan 8.380 nan 0.000 0.450 4 I N -1.068 119.510 120.570 0.013 0.000 2.836 4 I HA 0.143 4.313 4.170 -0.000 0.000 0.285 4 I C 1.047 177.174 176.117 0.017 0.000 1.174 4 I CA -0.912 60.398 61.300 0.017 0.000 1.405 4 I CB 0.384 38.398 38.000 0.023 0.000 1.385 4 I HN 0.438 nan 8.210 nan 0.000 0.594 5 M N 3.808 123.419 119.600 0.018 0.000 2.249 5 M HA 0.261 4.741 4.480 -0.000 0.000 0.340 5 M C 0.258 176.573 176.300 0.026 0.000 1.166 5 M CA -0.088 55.223 55.300 0.017 0.000 1.115 5 M CB 0.401 33.008 32.600 0.012 0.000 1.606 5 M HN 0.794 nan 8.290 nan 0.000 0.448 6 T N 2.388 116.955 114.554 0.022 0.000 2.910 6 T HA 0.589 4.939 4.350 -0.000 0.000 0.293 6 T C -0.316 174.404 174.700 0.034 0.000 1.015 6 T CA -0.840 61.274 62.100 0.024 0.000 1.094 6 T CB 0.754 69.632 68.868 0.017 0.000 0.968 6 T HN 0.696 nan 8.240 nan 0.000 0.521 7 L N 4.060 125.306 121.223 0.038 0.000 2.365 7 L HA 0.532 4.872 4.340 -0.000 0.000 0.273 7 L C -1.772 175.117 176.870 0.032 0.000 1.000 7 L CA -2.325 52.546 54.840 0.052 0.000 0.819 7 L CB 2.146 44.252 42.059 0.078 0.000 1.284 7 L HN 0.632 nan 8.230 nan 0.000 0.418 8 P HA 0.276 nan 4.420 nan 0.000 0.276 8 P C -1.235 176.068 177.300 0.005 0.000 1.261 8 P CA -0.619 62.491 63.100 0.016 0.000 0.800 8 P CB 1.124 32.837 31.700 0.022 0.000 1.066 9 K N 0.554 120.947 120.400 -0.011 0.000 2.095 9 K HA 0.465 4.785 4.320 -0.000 0.000 0.252 9 K C 0.359 176.940 176.600 -0.030 0.000 0.977 9 K CA -0.995 55.278 56.287 -0.024 0.000 0.900 9 K CB 0.963 33.444 32.500 -0.030 0.000 1.060 9 K HN 0.451 nan 8.250 nan 0.000 0.449 10 I N 2.325 122.876 120.570 -0.033 0.000 2.471 10 I HA -0.025 4.145 4.170 -0.000 0.000 0.286 10 I C 1.695 177.765 176.117 -0.079 0.000 1.079 10 I CA 0.287 61.568 61.300 -0.032 0.000 1.398 10 I CB 0.662 38.654 38.000 -0.014 0.000 1.403 10 I HN 0.580 nan 8.210 nan 0.000 0.530 11 K N 5.417 125.732 120.400 -0.142 0.000 2.108 11 K HA 0.118 4.438 4.320 -0.000 0.000 0.204 11 K C 0.249 176.560 176.600 -0.482 0.000 1.036 11 K CA 0.623 56.689 56.287 -0.370 0.000 0.965 11 K CB 0.428 32.631 32.500 -0.496 0.000 0.804 11 K HN 0.567 nan 8.250 nan 0.000 0.454 12 H N -1.157 117.935 119.070 0.038 0.000 2.946 12 H HA 0.391 4.947 4.556 0.000 0.000 0.365 12 H C -1.520 173.849 175.328 0.070 0.000 1.197 12 H CA -0.871 55.202 56.048 0.042 0.000 1.131 12 H CB 1.810 31.575 29.762 0.007 0.000 1.849 12 H HN -0.045 nan 8.280 nan 0.000 0.555 13 V N 2.071 122.129 119.914 0.240 0.000 2.623 13 V HA 0.505 4.625 4.120 -0.000 0.000 0.304 13 V C -1.004 175.159 176.094 0.115 0.000 1.054 13 V CA -0.496 61.895 62.300 0.152 0.000 0.882 13 V CB 1.610 33.496 31.823 0.106 0.000 1.002 13 V HN 0.697 nan 8.190 nan 0.000 0.424 14 R N 4.470 124.954 120.500 -0.026 0.000 2.803 14 R HA 0.927 5.267 4.340 -0.000 0.000 0.276 14 R C -0.920 175.135 176.300 -0.408 0.000 0.978 14 R CA -0.485 55.429 56.100 -0.309 0.000 0.939 14 R CB 2.315 32.238 30.300 -0.629 0.000 1.179 14 R HN 0.855 nan 8.270 nan 0.000 0.472 15 A N 1.790 124.291 122.820 -0.531 0.000 2.393 15 A HA 0.732 5.052 4.320 -0.000 0.000 0.306 15 A C -1.566 175.813 177.584 -0.342 0.000 1.050 15 A CA -0.641 51.240 52.037 -0.260 0.000 0.724 15 A CB 1.305 20.288 19.000 -0.029 0.000 1.248 15 A HN 0.583 nan 8.150 nan 0.000 0.424 16 W N 0.565 121.961 121.300 0.160 0.000 3.040 16 W HA 0.695 5.355 4.660 0.000 0.000 0.344 16 W C -1.087 175.568 176.519 0.226 0.000 1.201 16 W CA -0.550 56.874 57.345 0.132 0.000 1.119 16 W CB 2.044 31.526 29.460 0.037 0.000 1.478 16 W HN 0.831 nan 8.180 nan 0.000 0.586 17 F N 0.972 121.108 119.950 0.310 0.000 2.654 17 F HA 0.787 5.314 4.527 -0.000 0.000 0.308 17 F C -1.341 174.543 175.800 0.140 0.000 1.108 17 F CA -1.553 56.558 58.000 0.186 0.000 0.957 17 F CB 0.832 39.919 39.000 0.145 0.000 1.309 17 F HN 0.232 nan 8.300 nan 0.000 0.446 18 I N 0.222 120.980 120.570 0.314 0.000 2.969 18 I HA 0.984 5.154 4.170 -0.000 0.000 0.307 18 I C 0.226 176.528 176.117 0.308 0.000 1.149 18 I CA -0.832 60.569 61.300 0.168 0.000 1.008 18 I CB 1.756 39.800 38.000 0.074 0.000 1.232 18 I HN 1.461 nan 8.210 nan 0.000 0.435 19 G N 2.028 110.968 108.800 0.233 0.000 2.752 19 G HA2 0.358 4.318 3.960 -0.000 0.000 0.234 19 G HA3 0.358 4.318 3.960 -0.000 0.000 0.234 19 G C 0.268 175.311 174.900 0.237 0.000 1.367 19 G CA 0.091 45.309 45.100 0.195 0.000 0.879 19 G HN 2.842 nan 8.290 nan 0.000 0.563 20 G N -2.855 106.023 108.800 0.129 0.000 2.712 20 G HA2 0.418 4.378 3.960 -0.000 0.000 0.683 20 G HA3 0.418 4.378 3.960 -0.000 0.000 0.683 20 G C 1.125 176.061 174.900 0.059 0.000 1.320 20 G CA 1.113 46.253 45.100 0.068 0.000 0.847 20 G HN 2.472 nan 8.290 nan 0.000 0.553 21 A N -0.967 121.861 122.820 0.012 0.000 2.125 21 A HA 0.275 4.595 4.320 -0.000 0.000 0.219 21 A C 2.265 179.872 177.584 0.037 0.000 1.156 21 A CA 2.964 55.010 52.037 0.014 0.000 0.671 21 A CB -0.579 18.415 19.000 -0.010 0.000 0.794 21 A HN 2.338 nan 8.150 nan 0.000 0.459 22 T N -4.510 110.082 114.554 0.063 0.000 3.129 22 T HA 0.695 5.045 4.350 -0.000 0.000 0.267 22 T C 0.389 175.228 174.700 0.231 0.000 1.018 22 T CA 0.447 62.620 62.100 0.121 0.000 0.903 22 T CB 0.145 69.075 68.868 0.103 0.000 1.067 22 T HN 0.632 nan 8.240 nan 0.000 0.549 23 A N 0.852 123.806 122.820 0.224 0.000 2.973 23 A HA 0.747 5.067 4.320 -0.000 0.000 0.267 23 A C -1.026 176.629 177.584 0.118 0.000 1.210 23 A CA -0.881 51.279 52.037 0.206 0.000 0.749 23 A CB 0.722 19.911 19.000 0.315 0.000 1.373 23 A HN 0.323 nan 8.150 nan 0.000 0.585 24 E N 1.111 121.372 120.200 0.101 0.000 2.194 24 E HA 0.250 4.600 4.350 -0.000 0.000 0.284 24 E C -0.224 176.421 176.600 0.074 0.000 1.035 24 E CA -0.414 56.031 56.400 0.075 0.000 0.836 24 E CB 0.512 30.256 29.700 0.073 0.000 1.070 24 E HN 0.469 nan 8.360 nan 0.000 0.401 25 K N 3.073 123.506 120.400 0.056 0.000 2.436 25 K HA 0.058 4.378 4.320 -0.000 0.000 0.275 25 K C 0.510 177.137 176.600 0.045 0.000 0.999 25 K CA 1.088 57.402 56.287 0.044 0.000 0.980 25 K CB 0.276 32.792 32.500 0.026 0.000 0.919 25 K HN 0.779 nan 8.250 nan 0.000 0.484 26 G N 2.155 110.979 108.800 0.040 0.000 2.132 26 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.234 26 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.234 26 G C 0.667 175.602 174.900 0.057 0.000 0.989 26 G CA 0.392 45.518 45.100 0.044 0.000 0.676 26 G HN 0.807 nan 8.290 nan 0.000 0.522 27 A N -0.416 122.442 122.820 0.064 0.000 2.067 27 A HA 0.471 4.791 4.320 -0.000 0.000 0.219 27 A C 2.948 180.573 177.584 0.068 0.000 1.158 27 A CA 2.121 54.200 52.037 0.070 0.000 0.661 27 A CB -0.603 18.448 19.000 0.084 0.000 0.801 27 A HN 2.646 nan 8.150 nan 0.000 0.452 28 G N -1.391 107.448 108.800 0.065 0.000 2.591 28 G HA2 0.100 4.060 3.960 -0.000 0.000 0.298 28 G HA3 0.100 4.060 3.960 -0.000 0.000 0.298 28 G C 1.535 176.481 174.900 0.077 0.000 1.195 28 G CA 1.239 46.382 45.100 0.073 0.000 0.989 28 G HN 2.330 nan 8.290 nan 0.000 0.551 29 G N -1.427 107.437 108.800 0.105 0.000 2.561 29 G HA2 0.138 4.098 3.960 -0.000 0.000 0.289 29 G HA3 0.138 4.098 3.960 -0.000 0.000 0.289 29 G C 1.965 176.916 174.900 0.085 0.000 1.169 29 G CA 2.197 47.356 45.100 0.099 0.000 0.980 29 G HN 2.425 nan 8.290 nan 0.000 0.550 30 G N 0.039 108.777 108.800 -0.103 0.000 2.421 30 G HA2 0.160 4.120 3.960 -0.000 0.000 0.217 30 G HA3 0.160 4.120 3.960 -0.000 0.000 0.217 30 G C 0.690 175.476 174.900 -0.189 0.000 1.143 30 G CA 1.468 46.386 45.100 -0.304 0.000 0.784 30 G HN 0.848 nan 8.290 nan 0.000 0.541 31 D N -0.270 120.093 120.400 -0.062 0.000 2.422 31 D HA 0.190 4.830 4.640 -0.000 0.000 0.227 31 D C 0.898 177.182 176.300 -0.026 0.000 1.190 31 D CA -0.830 53.167 54.000 -0.004 0.000 0.905 31 D CB 0.228 41.069 40.800 0.068 0.000 1.034 31 D HN 0.299 nan 8.370 nan 0.000 0.507 32 Y N 1.759 122.113 120.300 0.090 0.000 2.241 32 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 32 Y C 1.799 177.560 175.900 -0.231 0.000 1.166 32 Y CA 1.377 59.419 58.100 -0.097 0.000 1.203 32 Y CB -0.542 37.792 38.460 -0.211 0.000 0.977 32 Y HN 0.636 nan 8.280 nan 0.000 0.529 33 H N -1.852 117.317 119.070 0.166 0.000 2.539 33 H HA 0.034 4.590 4.556 -0.000 0.000 0.267 33 H C 0.285 175.555 175.328 -0.097 0.000 0.982 33 H CA 0.233 56.254 56.048 -0.046 0.000 1.146 33 H CB 0.129 29.868 29.762 -0.040 0.000 1.382 33 H HN 0.083 nan 8.280 nan 0.000 0.577 34 D N 1.735 122.162 120.400 0.046 0.000 2.713 34 D HA 0.021 4.661 4.640 -0.000 0.000 0.229 34 D C -0.198 176.097 176.300 -0.009 0.000 1.136 34 D CA -0.197 53.815 54.000 0.019 0.000 1.010 34 D CB -0.034 40.794 40.800 0.048 0.000 1.084 34 D HN 0.192 nan 8.370 nan 0.000 0.495 35 Q N 0.073 119.832 119.800 -0.068 0.000 2.385 35 Q HA 0.617 4.957 4.340 -0.000 0.000 0.262 35 Q C 0.729 176.724 176.000 -0.007 0.000 1.050 35 Q CA -1.016 54.749 55.803 -0.064 0.000 0.903 35 Q CB 0.790 29.359 28.738 -0.281 0.000 1.325 35 Q HN 0.324 nan 8.270 nan 0.000 0.485 36 G N -0.866 107.970 108.800 0.060 0.000 2.630 36 G HA2 0.520 4.480 3.960 -0.000 0.000 0.223 36 G HA3 0.520 4.480 3.960 -0.000 0.000 0.223 36 G C -0.126 174.812 174.900 0.063 0.000 1.434 36 G CA -0.074 45.062 45.100 0.061 0.000 1.057 36 G HN 0.482 nan 8.290 nan 0.000 0.570 37 G N -1.849 106.988 108.800 0.061 0.000 2.547 37 G HA2 0.369 4.329 3.960 -0.000 0.000 0.291 37 G HA3 0.369 4.329 3.960 -0.000 0.000 0.291 37 G C 0.245 175.192 174.900 0.079 0.000 1.211 37 G CA -0.055 45.078 45.100 0.055 0.000 0.950 37 G HN 0.679 nan 8.290 nan 0.000 0.504 38 N N -0.437 118.304 118.700 0.068 0.000 2.708 38 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 38 N C -0.224 175.343 175.510 0.094 0.000 1.097 38 N CA 0.997 54.089 53.050 0.071 0.000 0.710 38 N CB -1.190 37.327 38.487 0.051 0.000 1.032 38 N HN 0.685 nan 8.380 nan 0.000 0.551 39 H N 0.445 119.524 119.070 0.016 0.000 2.473 39 H HA 0.087 4.643 4.556 0.000 0.000 0.327 39 H C 1.467 176.785 175.328 -0.015 0.000 1.105 39 H CA -0.443 55.606 56.048 0.002 0.000 1.280 39 H CB 0.435 30.146 29.762 -0.085 0.000 1.450 39 H HN 0.352 nan 8.280 nan 0.000 0.492 40 W N 5.338 126.761 121.300 0.204 0.000 2.350 40 W HA -0.131 4.529 4.660 -0.000 0.000 0.289 40 W C 0.981 177.648 176.519 0.247 0.000 1.215 40 W CA 0.413 57.876 57.345 0.197 0.000 1.236 40 W CB -0.848 28.689 29.460 0.129 0.000 1.130 40 W HN 0.547 nan 8.180 nan 0.000 0.541 41 I N 1.570 121.505 120.570 -1.057 0.000 3.083 41 I HA -0.207 3.963 4.170 -0.000 0.000 0.273 41 I C 0.894 176.670 176.117 -0.569 0.000 1.297 41 I CA 1.813 62.313 61.300 -1.334 0.000 1.452 41 I CB -0.397 36.795 38.000 -1.348 0.000 1.078 41 I HN -0.122 nan 8.210 nan 0.000 0.484 42 D N -0.475 119.750 120.400 -0.291 0.000 2.540 42 D HA 0.013 4.653 4.640 -0.000 0.000 0.229 42 D C -0.119 176.145 176.300 -0.059 0.000 1.250 42 D CA -0.163 53.718 54.000 -0.198 0.000 0.817 42 D CB 0.147 40.843 40.800 -0.173 0.000 1.060 42 D HN 0.037 nan 8.370 nan 0.000 0.508 43 D N 0.020 120.444 120.400 0.040 0.000 2.483 43 D HA 0.080 4.720 4.640 -0.000 0.000 0.220 43 D C -0.299 176.149 176.300 0.246 0.000 1.173 43 D CA -0.104 53.981 54.000 0.142 0.000 0.964 43 D CB -0.686 40.231 40.800 0.196 0.000 1.046 43 D HN 0.276 nan 8.370 nan 0.000 0.517 44 H N 2.028 121.117 119.070 0.032 0.000 2.604 44 H HA -0.210 4.346 4.556 -0.000 0.000 0.321 44 H C -0.452 174.905 175.328 0.048 0.000 1.132 44 H CA 0.167 56.213 56.048 -0.003 0.000 1.129 44 H CB -1.184 28.515 29.762 -0.105 0.000 1.526 44 H HN 0.452 nan 8.280 nan 0.000 0.415 45 I N 1.414 122.011 120.570 0.045 0.000 2.371 45 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 45 I C 1.102 177.191 176.117 -0.048 0.000 1.028 45 I CA 0.051 61.312 61.300 -0.064 0.000 1.345 45 I CB 1.112 39.028 38.000 -0.140 0.000 1.407 45 I HN 0.500 nan 8.210 nan 0.000 0.501 46 A N 5.345 128.159 122.820 -0.010 0.000 2.511 46 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 46 A C 0.355 178.038 177.584 0.166 0.000 1.069 46 A CA 0.236 52.320 52.037 0.078 0.000 0.763 46 A CB -0.040 19.026 19.000 0.110 0.000 1.001 46 A HN 0.819 nan 8.150 nan 0.000 0.498 47 T N -0.728 113.934 114.554 0.180 0.000 2.754 47 T HA 0.624 4.974 4.350 -0.000 0.000 0.296 47 T C -2.687 172.077 174.700 0.107 0.000 1.205 47 T CA -1.138 61.125 62.100 0.272 0.000 1.009 47 T CB 1.273 70.335 68.868 0.324 0.000 1.368 47 T HN 0.129 nan 8.240 nan 0.000 0.509 48 P HA 0.115 nan 4.420 nan 0.000 0.226 48 P C 1.191 178.408 177.300 -0.139 0.000 1.153 48 P CA 0.747 63.797 63.100 -0.083 0.000 0.777 48 P CB 0.039 31.654 31.700 -0.142 0.000 0.794 49 M N -1.725 117.771 119.600 -0.174 0.000 2.414 49 M HA 0.084 4.564 4.480 -0.000 0.000 0.251 49 M C 1.599 177.915 176.300 0.026 0.000 1.116 49 M CA 0.796 56.033 55.300 -0.106 0.000 1.056 49 M CB -1.005 31.344 32.600 -0.418 0.000 1.388 49 M HN -0.033 nan 8.290 nan 0.000 0.487 50 S N 1.228 116.926 115.700 -0.004 0.000 2.537 50 S HA -0.134 4.336 4.470 -0.000 0.000 0.240 50 S C 1.542 175.992 174.600 -0.249 0.000 0.981 50 S CA 0.751 58.946 58.200 -0.009 0.000 0.948 50 S CB -0.715 62.513 63.200 0.047 0.000 0.759 50 S HN 0.650 nan 8.310 nan 0.000 0.531 51 K N -0.470 119.612 120.400 -0.529 0.000 2.432 51 K HA 0.037 4.357 4.320 -0.000 0.000 0.196 51 K C -0.609 175.638 176.600 -0.588 0.000 1.038 51 K CA 0.169 55.854 56.287 -1.004 0.000 0.986 51 K CB -0.269 31.713 32.500 -0.863 0.000 0.782 51 K HN 0.397 nan 8.250 nan 0.000 0.485 52 Y N 1.512 121.731 120.300 -0.134 0.000 2.341 52 Y HA 0.233 4.783 4.550 -0.000 0.000 0.340 52 Y C 1.288 177.168 175.900 -0.032 0.000 0.997 52 Y CA -1.415 56.673 58.100 -0.020 0.000 1.149 52 Y CB 1.532 40.081 38.460 0.148 0.000 1.171 52 Y HN -0.121 nan 8.280 nan 0.000 0.494 53 R N 1.385 121.945 120.500 0.101 0.000 2.113 53 R HA -0.193 4.147 4.340 -0.000 0.000 0.244 53 R C 0.954 177.220 176.300 -0.057 0.000 1.142 53 R CA 2.227 58.344 56.100 0.028 0.000 0.953 53 R CB -0.321 29.995 30.300 0.026 0.000 0.860 53 R HN 0.731 nan 8.270 nan 0.000 0.438 54 D N -1.293 118.992 120.400 -0.191 0.000 2.350 54 D HA -0.139 4.501 4.640 -0.000 0.000 0.216 54 D C 0.249 176.164 176.300 -0.643 0.000 0.968 54 D CA 1.005 54.722 54.000 -0.471 0.000 0.894 54 D CB 0.077 40.442 40.800 -0.725 0.000 0.909 54 D HN 0.389 nan 8.370 nan 0.000 0.520 55 Y N -0.309 120.042 120.300 0.086 0.000 2.719 55 Y HA 0.214 4.764 4.550 0.000 0.000 0.251 55 Y C 1.696 177.638 175.900 0.071 0.000 1.159 55 Y CA -0.714 57.458 58.100 0.119 0.000 1.166 55 Y CB 0.208 38.787 38.460 0.199 0.000 1.219 55 Y HN -0.111 nan 8.280 nan 0.000 0.551 56 E N 0.477 120.712 120.200 0.058 0.000 2.060 56 E HA -0.190 4.160 4.350 -0.000 0.000 0.189 56 E C 1.908 178.345 176.600 -0.272 0.000 0.974 56 E CA 0.906 57.251 56.400 -0.093 0.000 0.808 56 E CB 0.326 29.975 29.700 -0.085 0.000 0.768 56 E HN 0.299 nan 8.360 nan 0.000 0.453 57 Q N 0.752 120.460 119.800 -0.153 0.000 2.172 57 Q HA 0.024 4.364 4.340 -0.000 0.000 0.200 57 Q C 0.068 176.032 176.000 -0.061 0.000 0.964 57 Q CA 0.812 56.553 55.803 -0.103 0.000 0.855 57 Q CB 0.270 29.019 28.738 0.018 0.000 0.918 57 Q HN 0.082 nan 8.270 nan 0.000 0.444 58 S N -0.860 114.818 115.700 -0.037 0.000 2.594 58 S HA 0.431 4.901 4.470 -0.000 0.000 0.296 58 S C 0.070 174.600 174.600 -0.116 0.000 1.124 58 S CA -0.780 57.378 58.200 -0.070 0.000 1.011 58 S CB 0.895 64.061 63.200 -0.058 0.000 1.016 58 S HN 0.361 nan 8.310 nan 0.000 0.485 59 R N 2.574 122.900 120.500 -0.289 0.000 2.153 59 R HA -0.001 4.339 4.340 -0.000 0.000 0.218 59 R C 1.929 177.634 176.300 -0.992 0.000 1.072 59 R CA 0.993 56.666 56.100 -0.711 0.000 0.990 59 R CB -0.098 29.778 30.300 -0.707 0.000 0.889 59 R HN 0.713 nan 8.270 nan 0.000 0.452 60 Q N 0.356 119.850 119.800 -0.509 0.000 2.124 60 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 60 Q C 2.211 178.049 176.000 -0.270 0.000 0.977 60 Q CA 1.949 57.532 55.803 -0.367 0.000 0.850 60 Q CB -0.033 28.584 28.738 -0.201 0.000 0.901 60 Q HN 0.349 nan 8.270 nan 0.000 0.429 61 S N 0.660 116.269 115.700 -0.152 0.000 2.419 61 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 61 S C 1.562 176.286 174.600 0.207 0.000 1.016 61 S CA 1.151 59.391 58.200 0.066 0.000 0.974 61 S CB -0.489 62.805 63.200 0.155 0.000 0.786 61 S HN 0.554 nan 8.310 nan 0.000 0.492 62 F N 0.599 120.587 119.950 0.063 0.000 2.765 62 F HA 0.637 5.164 4.527 -0.000 0.000 0.302 62 F C 1.214 176.921 175.800 -0.154 0.000 1.111 62 F CA -0.759 57.106 58.000 -0.225 0.000 1.359 62 F CB -0.587 38.169 39.000 -0.407 0.000 1.097 62 F HN 0.305 nan 8.300 nan 0.000 0.577 63 G N 1.802 110.479 108.800 -0.205 0.000 2.215 63 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.198 63 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.198 63 G C 0.630 175.444 174.900 -0.143 0.000 1.047 63 G CA 0.170 45.202 45.100 -0.112 0.000 0.747 63 G HN 0.583 nan 8.290 nan 0.000 0.495 64 I N 0.271 120.567 120.570 -0.457 0.000 3.001 64 I HA -0.041 4.129 4.170 -0.000 0.000 0.268 64 I C 1.741 177.808 176.117 -0.083 0.000 1.267 64 I CA 1.503 62.642 61.300 -0.268 0.000 1.472 64 I CB 0.066 37.701 38.000 -0.609 0.000 1.089 64 I HN 0.405 nan 8.210 nan 0.000 0.468 65 N N 0.101 118.740 118.700 -0.101 0.000 2.187 65 N HA -0.053 4.687 4.740 -0.000 0.000 0.212 65 N C 1.340 176.846 175.510 -0.006 0.000 1.152 65 N CA 0.720 53.756 53.050 -0.023 0.000 0.872 65 N CB -0.567 37.894 38.487 -0.045 0.000 1.025 65 N HN 0.290 nan 8.380 nan 0.000 0.514 66 V N -1.479 118.426 119.914 -0.015 0.000 2.626 66 V HA -0.043 4.077 4.120 -0.000 0.000 0.252 66 V C 1.939 178.021 176.094 -0.020 0.000 1.067 66 V CA 0.983 63.274 62.300 -0.014 0.000 1.081 66 V CB -0.760 31.052 31.823 -0.018 0.000 0.686 66 V HN 0.163 nan 8.190 nan 0.000 0.468 67 L N 0.884 122.101 121.223 -0.011 0.000 2.068 67 L HA 0.408 4.748 4.340 -0.000 0.000 0.204 67 L C 1.785 178.650 176.870 -0.009 0.000 1.076 67 L CA 1.086 55.910 54.840 -0.028 0.000 0.753 67 L CB -1.257 40.790 42.059 -0.020 0.000 0.910 67 L HN 0.678 nan 8.230 nan 0.000 0.439 68 G N -0.070 108.754 108.800 0.040 0.000 2.642 68 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.231 68 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.231 68 G C -0.212 174.743 174.900 0.092 0.000 1.338 68 G CA -0.290 44.860 45.100 0.084 0.000 0.883 68 G HN 0.131 nan 8.290 nan 0.000 0.570 69 T N 0.863 115.499 114.554 0.138 0.000 2.799 69 T HA 0.524 4.874 4.350 -0.000 0.000 0.286 69 T C 0.089 174.899 174.700 0.183 0.000 0.973 69 T CA 0.003 62.174 62.100 0.119 0.000 1.035 69 T CB 1.515 70.435 68.868 0.087 0.000 0.932 69 T HN 1.064 nan 8.240 nan 0.000 0.469 70 L N 4.968 126.272 121.223 0.135 0.000 2.307 70 L HA 0.689 5.029 4.340 -0.000 0.000 0.282 70 L C -1.159 175.812 176.870 0.168 0.000 1.051 70 L CA -0.369 54.576 54.840 0.174 0.000 0.804 70 L CB 0.466 42.598 42.059 0.122 0.000 1.197 70 L HN 0.605 nan 8.230 nan 0.000 0.431 71 I N 5.706 126.429 120.570 0.255 0.000 2.447 71 I HA 0.433 4.603 4.170 -0.000 0.000 0.287 71 I C -0.960 175.365 176.117 0.347 0.000 1.023 71 I CA -0.737 60.746 61.300 0.306 0.000 1.083 71 I CB 1.923 40.144 38.000 0.368 0.000 1.245 71 I HN 0.263 nan 8.210 nan 0.000 0.434 72 V N 5.675 125.764 119.914 0.291 0.000 2.417 72 V HA 0.415 4.535 4.120 -0.000 0.000 0.291 72 V C -0.233 176.066 176.094 0.342 0.000 1.024 72 V CA -0.522 61.923 62.300 0.243 0.000 0.861 72 V CB 1.887 33.796 31.823 0.143 0.000 0.985 72 V HN 0.737 nan 8.190 nan 0.000 0.436 73 E N 3.587 123.985 120.200 0.331 0.000 2.210 73 E HA 0.655 5.005 4.350 -0.000 0.000 0.266 73 E C -1.846 174.905 176.600 0.251 0.000 0.883 73 E CA -0.511 56.120 56.400 0.386 0.000 0.761 73 E CB 2.310 32.346 29.700 0.560 0.000 1.156 73 E HN 0.457 nan 8.360 nan 0.000 0.412 74 V N 4.072 124.130 119.914 0.239 0.000 2.417 74 V HA 0.319 4.439 4.120 -0.000 0.000 0.291 74 V C -0.318 175.881 176.094 0.175 0.000 1.024 74 V CA -0.663 61.744 62.300 0.177 0.000 0.861 74 V CB 1.522 33.430 31.823 0.142 0.000 0.985 74 V HN 0.712 nan 8.190 nan 0.000 0.436 75 E N 3.537 123.831 120.200 0.156 0.000 2.158 75 E HA 0.722 5.072 4.350 -0.000 0.000 0.271 75 E C -0.287 176.351 176.600 0.064 0.000 0.911 75 E CA -0.552 55.929 56.400 0.136 0.000 0.767 75 E CB 1.791 31.602 29.700 0.185 0.000 1.120 75 E HN 0.843 nan 8.360 nan 0.000 0.405 76 A N 3.698 126.552 122.820 0.056 0.000 2.257 76 A HA 0.184 4.504 4.320 -0.000 0.000 0.289 76 A C 0.890 178.471 177.584 -0.005 0.000 1.095 76 A CA -0.410 51.639 52.037 0.019 0.000 0.836 76 A CB 0.526 19.550 19.000 0.040 0.000 1.111 76 A HN 0.857 nan 8.150 nan 0.000 0.497 77 E N 0.995 121.179 120.200 -0.026 0.000 2.267 77 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 77 E C 0.805 177.405 176.600 -0.000 0.000 0.998 77 E CA 1.352 57.733 56.400 -0.032 0.000 0.830 77 E CB -0.162 29.519 29.700 -0.032 0.000 0.751 77 E HN 0.764 nan 8.360 nan 0.000 0.491 78 N N 0.152 118.861 118.700 0.014 0.000 2.362 78 N HA -0.029 4.711 4.740 -0.000 0.000 0.204 78 N C 0.148 175.679 175.510 0.034 0.000 1.166 78 N CA 0.115 53.179 53.050 0.023 0.000 0.831 78 N CB 0.378 38.880 38.487 0.025 0.000 1.008 78 N HN -0.124 nan 8.380 nan 0.000 0.472 79 R N -1.588 118.937 120.500 0.043 0.000 3.606 79 R HA -0.180 4.160 4.340 -0.000 0.000 0.439 79 R C -0.305 176.037 176.300 0.070 0.000 0.585 79 R CA 1.382 57.517 56.100 0.058 0.000 1.521 79 R CB -1.996 28.333 30.300 0.050 0.000 2.112 79 R HN 0.500 nan 8.270 nan 0.000 0.375 80 Q N 0.948 120.788 119.800 0.065 0.000 2.395 80 Q HA 0.327 4.667 4.340 -0.000 0.000 0.271 80 Q C 0.396 176.459 176.000 0.104 0.000 1.026 80 Q CA 1.199 57.049 55.803 0.079 0.000 0.900 80 Q CB 0.932 29.712 28.738 0.069 0.000 1.266 80 Q HN 0.411 nan 8.270 nan 0.000 0.430 81 T N -1.915 112.717 114.554 0.129 0.000 2.901 81 T HA 0.822 5.172 4.350 -0.000 0.000 0.293 81 T C -0.294 174.540 174.700 0.224 0.000 1.084 81 T CA -0.704 61.500 62.100 0.173 0.000 1.008 81 T CB 2.068 71.046 68.868 0.184 0.000 1.170 81 T HN 0.635 nan 8.240 nan 0.000 0.509 82 G N 0.460 109.425 108.800 0.274 0.000 2.659 82 G HA2 0.764 4.724 3.960 -0.000 0.000 0.296 82 G HA3 0.764 4.724 3.960 -0.000 0.000 0.296 82 G C -1.446 173.720 174.900 0.443 0.000 1.369 82 G CA -1.112 44.187 45.100 0.332 0.000 0.937 82 G HN 1.120 nan 8.290 nan 0.000 0.485 83 F N -0.656 119.430 119.950 0.227 0.000 2.789 83 F HA 0.930 5.457 4.527 0.000 0.000 0.319 83 F C -0.518 175.407 175.800 0.208 0.000 1.168 83 F CA -1.040 57.086 58.000 0.209 0.000 0.934 83 F CB 1.519 40.639 39.000 0.201 0.000 1.375 83 F HN 1.156 nan 8.300 nan 0.000 0.480 84 A N 0.706 123.514 122.820 -0.021 0.000 2.597 84 A HA 0.722 5.042 4.320 -0.000 0.000 0.292 84 A C -1.639 175.876 177.584 -0.115 0.000 1.057 84 A CA -0.222 51.616 52.037 -0.332 0.000 0.674 84 A CB 1.127 19.835 19.000 -0.488 0.000 1.278 84 A HN 2.164 nan 8.150 nan 0.000 0.416 85 V N -1.581 118.147 119.914 -0.310 0.000 3.001 85 V HA 1.029 5.149 4.120 -0.000 0.000 0.314 85 V C -0.185 175.711 176.094 -0.330 0.000 1.099 85 V CA 0.188 62.368 62.300 -0.201 0.000 0.989 85 V CB 1.365 33.075 31.823 -0.189 0.000 1.040 85 V HN 2.087 nan 8.190 nan 0.000 0.434 86 S N 0.867 116.474 115.700 -0.155 0.000 2.755 86 S HA 0.630 5.100 4.470 -0.000 0.000 0.286 86 S C -0.771 173.866 174.600 0.063 0.000 1.207 86 S CA -0.016 58.169 58.200 -0.025 0.000 0.892 86 S CB 1.699 64.941 63.200 0.069 0.000 1.240 86 S HN 1.134 nan 8.310 nan 0.000 0.525 87 T N 1.734 116.398 114.554 0.182 0.000 2.756 87 T HA 0.766 5.116 4.350 -0.000 0.000 0.290 87 T C 0.460 175.170 174.700 0.017 0.000 0.985 87 T CA 0.303 62.459 62.100 0.094 0.000 0.955 87 T CB 0.972 69.896 68.868 0.094 0.000 0.930 87 T HN 1.106 nan 8.240 nan 0.000 0.451 88 A N 2.434 125.267 122.820 0.022 0.000 1.790 88 A HA 0.593 4.913 4.320 -0.000 0.000 0.174 88 A C 1.238 178.817 177.584 -0.009 0.000 2.050 88 A CA 0.692 52.731 52.037 0.002 0.000 1.622 88 A CB -0.771 18.246 19.000 0.028 0.000 1.619 88 A HN 1.647 nan 8.150 nan 0.000 0.280 89 G N 0.337 109.154 108.800 0.030 0.000 2.574 89 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.286 89 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.286 89 G C 0.822 175.633 174.900 -0.148 0.000 1.212 89 G CA 1.491 46.572 45.100 -0.033 0.000 0.979 89 G HN 1.054 nan 8.290 nan 0.000 0.557 90 E N -0.246 119.572 120.200 -0.637 0.000 2.049 90 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 90 E C 2.843 179.468 176.600 0.042 0.000 1.007 90 E CA 2.054 58.171 56.400 -0.472 0.000 0.809 90 E CB -0.214 29.064 29.700 -0.703 0.000 0.749 90 E HN 0.566 nan 8.360 nan 0.000 0.450 91 M N -0.314 119.277 119.600 -0.015 0.000 2.213 91 M HA -0.085 4.395 4.480 -0.000 0.000 0.263 91 M C 2.360 178.726 176.300 0.110 0.000 1.062 91 M CA 1.393 56.722 55.300 0.049 0.000 1.105 91 M CB -0.277 32.301 32.600 -0.037 0.000 1.385 91 M HN 0.270 nan 8.290 nan 0.000 0.417 92 G N -0.323 108.527 108.800 0.083 0.000 2.422 92 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 92 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 92 G C 1.479 176.463 174.900 0.141 0.000 1.146 92 G CA 0.928 46.091 45.100 0.104 0.000 0.769 92 G HN 0.476 nan 8.290 nan 0.000 0.547 93 C N -0.304 119.119 119.300 0.206 0.000 2.425 93 C HA 0.039 4.499 4.460 -0.000 0.000 0.277 93 C C 2.385 177.467 174.990 0.154 0.000 1.280 93 C CA 0.565 59.733 59.018 0.251 0.000 1.744 93 C CB -1.224 26.776 27.740 0.434 0.000 1.989 93 C HN 0.484 nan 8.230 nan 0.000 0.491 94 F N 1.681 121.557 119.950 -0.124 0.000 2.102 94 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 94 F C 2.214 177.853 175.800 -0.267 0.000 1.105 94 F CA 1.661 59.296 58.000 -0.609 0.000 1.239 94 F CB -0.252 38.371 39.000 -0.629 0.000 0.991 94 F HN 0.043 nan 8.300 nan 0.000 0.474 95 I N -0.034 120.652 120.570 0.194 0.000 2.163 95 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 95 I C 2.433 178.572 176.117 0.036 0.000 1.085 95 I CA 1.244 62.659 61.300 0.192 0.000 1.347 95 I CB -1.535 36.590 38.000 0.210 0.000 1.044 95 I HN 0.077 nan 8.210 nan 0.000 0.408 96 V N 0.652 120.560 119.914 -0.010 0.000 2.323 96 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 96 V C 2.510 178.487 176.094 -0.196 0.000 1.041 96 V CA 1.498 63.761 62.300 -0.061 0.000 1.025 96 V CB -0.552 31.258 31.823 -0.021 0.000 0.656 96 V HN 0.354 nan 8.190 nan 0.000 0.451 97 E N 0.166 120.223 120.200 -0.238 0.000 2.152 97 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 97 E C 1.844 178.147 176.600 -0.495 0.000 0.983 97 E CA 0.793 56.966 56.400 -0.378 0.000 0.818 97 E CB -0.070 29.547 29.700 -0.139 0.000 0.758 97 E HN 0.454 nan 8.360 nan 0.000 0.467 98 K N -0.861 119.235 120.400 -0.507 0.000 2.358 98 K HA 0.129 4.449 4.320 -0.000 0.000 0.200 98 K C 1.142 177.582 176.600 -0.266 0.000 1.030 98 K CA 0.194 56.167 56.287 -0.523 0.000 1.097 98 K CB 0.911 32.791 32.500 -1.035 0.000 0.862 98 K HN 0.339 nan 8.250 nan 0.000 0.534 99 H N -0.909 118.002 119.070 -0.266 0.000 1.785 99 H HA 0.219 4.775 4.556 -0.000 0.000 0.156 99 H C 1.482 176.766 175.328 -0.072 0.000 1.015 99 H CA -0.057 55.931 56.048 -0.100 0.000 1.056 99 H CB 0.370 30.177 29.762 0.075 0.000 0.903 99 H HN -0.131 nan 8.280 nan 0.000 0.313 100 L N 2.643 123.858 121.223 -0.013 0.000 2.265 100 L HA -0.163 4.177 4.340 -0.000 0.000 0.215 100 L C 2.214 179.065 176.870 -0.033 0.000 1.117 100 L CA 1.140 56.000 54.840 0.033 0.000 0.782 100 L CB -0.622 41.449 42.059 0.020 0.000 0.914 100 L HN 0.528 nan 8.230 nan 0.000 0.441 101 N N 2.265 120.870 118.700 -0.159 0.000 2.192 101 N HA -0.279 4.461 4.740 -0.000 0.000 0.188 101 N C 1.802 177.210 175.510 -0.171 0.000 1.013 101 N CA 1.772 54.717 53.050 -0.175 0.000 0.863 101 N CB -0.520 37.723 38.487 -0.406 0.000 0.990 101 N HN 0.552 nan 8.380 nan 0.000 0.430 102 R N -0.323 119.974 120.500 -0.338 0.000 2.152 102 R HA -0.039 4.301 4.340 -0.000 0.000 0.232 102 R C 1.052 177.091 176.300 -0.434 0.000 1.117 102 R CA 1.190 57.030 56.100 -0.432 0.000 0.981 102 R CB -0.619 29.319 30.300 -0.602 0.000 0.870 102 R HN 0.183 nan 8.270 nan 0.000 0.451 103 F N 0.634 120.573 119.950 -0.019 0.000 2.619 103 F HA 0.295 4.822 4.527 0.000 0.000 0.293 103 F C 1.899 177.682 175.800 -0.029 0.000 1.119 103 F CA -0.111 57.874 58.000 -0.026 0.000 1.445 103 F CB -0.028 38.944 39.000 -0.046 0.000 1.119 103 F HN -0.115 nan 8.300 nan 0.000 0.573 104 I N -0.361 120.271 120.570 0.103 0.000 2.364 104 I HA -0.047 4.123 4.170 -0.000 0.000 0.241 104 I C 0.575 176.710 176.117 0.030 0.000 1.082 104 I CA 0.427 61.765 61.300 0.062 0.000 1.401 104 I CB -0.382 37.651 38.000 0.056 0.000 1.126 104 I HN -0.112 nan 8.210 nan 0.000 0.429 105 E N 1.365 121.579 120.200 0.025 0.000 2.376 105 E HA 0.249 4.599 4.350 -0.000 0.000 0.266 105 E C 0.799 177.395 176.600 -0.006 0.000 1.009 105 E CA 0.699 57.108 56.400 0.015 0.000 0.902 105 E CB 0.512 30.241 29.700 0.048 0.000 0.972 105 E HN 0.506 nan 8.360 nan 0.000 0.439 106 G N 2.719 111.505 108.800 -0.022 0.000 2.232 106 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.226 106 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.226 106 G C 0.301 175.188 174.900 -0.021 0.000 0.996 106 G CA -0.358 44.728 45.100 -0.024 0.000 0.626 106 G HN 0.341 nan 8.290 nan 0.000 0.509 107 K N 0.388 120.777 120.400 -0.019 0.000 2.138 107 K HA 0.495 4.815 4.320 -0.000 0.000 0.251 107 K C 0.793 177.366 176.600 -0.045 0.000 1.015 107 K CA -0.153 56.116 56.287 -0.029 0.000 0.917 107 K CB 1.064 33.547 32.500 -0.028 0.000 1.021 107 K HN 0.393 nan 8.250 nan 0.000 0.485 108 C N 1.151 120.413 119.300 -0.062 0.000 2.604 108 C HA 0.086 4.546 4.460 -0.000 0.000 0.396 108 C C 2.319 177.243 174.990 -0.110 0.000 1.282 108 C CA -0.506 58.469 59.018 -0.071 0.000 2.292 108 C CB -0.217 27.475 27.740 -0.080 0.000 2.633 108 C HN 0.611 nan 8.230 nan 0.000 0.620 109 V N 3.008 122.870 119.914 -0.087 0.000 3.078 109 V HA -0.023 4.097 4.120 -0.000 0.000 0.265 109 V C 1.781 177.655 176.094 -0.367 0.000 1.122 109 V CA 2.213 64.448 62.300 -0.109 0.000 1.141 109 V CB -1.271 30.580 31.823 0.046 0.000 0.735 109 V HN 1.016 nan 8.190 nan 0.000 0.498 110 S N -0.941 114.479 115.700 -0.466 0.000 2.548 110 S HA 0.064 4.534 4.470 -0.000 0.000 0.215 110 S C 0.846 175.097 174.600 -0.582 0.000 0.976 110 S CA 0.238 57.913 58.200 -0.875 0.000 0.908 110 S CB -0.375 62.447 63.200 -0.631 0.000 0.781 110 S HN 0.560 nan 8.310 nan 0.000 0.519 111 D N 1.947 122.132 120.400 -0.358 0.000 2.856 111 D HA 0.283 4.923 4.640 -0.000 0.000 0.242 111 D C 1.131 177.280 176.300 -0.251 0.000 1.226 111 D CA -0.022 53.833 54.000 -0.241 0.000 0.855 111 D CB -0.199 40.518 40.800 -0.139 0.000 1.065 111 D HN 0.477 nan 8.370 nan 0.000 0.462 112 I N 0.156 120.485 120.570 -0.401 0.000 2.142 112 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 112 I C 2.287 178.296 176.117 -0.180 0.000 1.078 112 I CA 1.071 62.134 61.300 -0.396 0.000 1.343 112 I CB -0.062 37.439 38.000 -0.832 0.000 1.046 112 I HN -0.049 nan 8.210 nan 0.000 0.405 113 K N 0.350 120.668 120.400 -0.137 0.000 2.097 113 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 113 K C 2.086 178.702 176.600 0.027 0.000 1.049 113 K CA 1.216 57.504 56.287 0.002 0.000 0.933 113 K CB -0.276 32.230 32.500 0.011 0.000 0.717 113 K HN 0.149 nan 8.250 nan 0.000 0.442 114 L N 1.560 122.765 121.223 -0.031 0.000 2.027 114 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 114 L C 1.908 178.762 176.870 -0.025 0.000 1.074 114 L CA 1.539 56.363 54.840 -0.026 0.000 0.745 114 L CB -0.282 41.753 42.059 -0.040 0.000 0.898 114 L HN 0.110 nan 8.230 nan 0.000 0.433 115 I N -0.970 119.587 120.570 -0.022 0.000 2.208 115 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 115 I C 2.543 178.644 176.117 -0.026 0.000 1.097 115 I CA 1.587 62.882 61.300 -0.008 0.000 1.363 115 I CB -0.568 37.435 38.000 0.004 0.000 1.051 115 I HN 0.446 nan 8.210 nan 0.000 0.413 116 H N 0.953 119.982 119.070 -0.069 0.000 2.290 116 H HA -0.269 4.287 4.556 -0.000 0.000 0.298 116 H C 1.884 177.160 175.328 -0.087 0.000 1.087 116 H CA 2.432 58.449 56.048 -0.051 0.000 1.291 116 H CB -0.251 29.513 29.762 0.003 0.000 1.369 116 H HN 0.315 nan 8.280 nan 0.000 0.492 117 D N -0.707 119.644 120.400 -0.083 0.000 2.144 117 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 117 D C 2.082 178.234 176.300 -0.246 0.000 0.984 117 D CA 1.303 55.213 54.000 -0.150 0.000 0.834 117 D CB -0.008 40.760 40.800 -0.053 0.000 0.955 117 D HN 0.564 nan 8.370 nan 0.000 0.465 118 Q N -0.707 118.926 119.800 -0.279 0.000 2.119 118 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 118 Q C 2.351 177.889 176.000 -0.770 0.000 0.972 118 Q CA 0.919 56.423 55.803 -0.497 0.000 0.847 118 Q CB -0.106 28.348 28.738 -0.473 0.000 0.903 118 Q HN 0.450 nan 8.270 nan 0.000 0.433 119 M N 0.306 119.556 119.600 -0.582 0.000 2.159 119 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 119 M C 2.148 178.192 176.300 -0.426 0.000 1.063 119 M CA 1.331 56.328 55.300 -0.505 0.000 1.110 119 M CB -0.269 32.163 32.600 -0.281 0.000 1.374 119 M HN 0.226 nan 8.290 nan 0.000 0.411 120 L N -0.616 120.365 121.223 -0.402 0.000 2.027 120 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 120 L C 2.716 179.443 176.870 -0.239 0.000 1.074 120 L CA 1.386 56.036 54.840 -0.316 0.000 0.745 120 L CB -1.193 40.676 42.059 -0.316 0.000 0.898 120 L HN 0.381 nan 8.230 nan 0.000 0.433 121 G N -0.643 108.017 108.800 -0.232 0.000 2.408 121 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 121 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 121 G C 1.683 176.533 174.900 -0.083 0.000 1.150 121 G CA 0.738 45.752 45.100 -0.142 0.000 0.776 121 G HN 0.463 nan 8.290 nan 0.000 0.542 122 A N 0.412 123.133 122.820 -0.165 0.000 2.067 122 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 122 A C 2.413 180.140 177.584 0.239 0.000 1.156 122 A CA 2.168 54.244 52.037 0.064 0.000 0.683 122 A CB -0.384 18.580 19.000 -0.060 0.000 0.808 122 A HN 0.484 nan 8.150 nan 0.000 0.455 123 T N -4.092 110.409 114.554 -0.089 0.000 3.054 123 T HA 0.174 4.524 4.350 -0.000 0.000 0.255 123 T C 1.595 176.002 174.700 -0.489 0.000 1.035 123 T CA 0.616 62.456 62.100 -0.433 0.000 0.941 123 T CB -0.279 68.193 68.868 -0.660 0.000 1.026 123 T HN 0.285 nan 8.240 nan 0.000 0.533 124 M N 1.677 121.173 119.600 -0.174 0.000 2.195 124 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 124 M C 1.944 178.224 176.300 -0.035 0.000 1.066 124 M CA 1.913 57.152 55.300 -0.102 0.000 1.089 124 M CB -0.354 32.237 32.600 -0.015 0.000 1.377 124 M HN 0.607 nan 8.290 nan 0.000 0.411 125 Y N -0.585 119.723 120.300 0.013 0.000 2.571 125 Y HA -0.120 4.430 4.550 -0.000 0.000 0.294 125 Y C 1.117 177.114 175.900 0.163 0.000 1.141 125 Y CA 0.907 59.061 58.100 0.090 0.000 1.308 125 Y CB -0.987 37.552 38.460 0.131 0.000 1.002 125 Y HN 0.518 nan 8.280 nan 0.000 0.551 126 Y N -1.554 118.471 120.300 -0.458 0.000 2.791 126 Y HA 0.388 4.938 4.550 0.000 0.000 0.263 126 Y C 1.537 177.314 175.900 -0.204 0.000 1.089 126 Y CA -0.242 57.657 58.100 -0.335 0.000 1.253 126 Y CB -0.533 37.627 38.460 -0.501 0.000 1.360 126 Y HN 0.069 nan 8.280 nan 0.000 0.569 127 S N -0.069 115.347 115.700 -0.473 0.000 2.470 127 S HA 0.242 4.712 4.470 -0.000 0.000 0.225 127 S C 1.929 176.439 174.600 -0.150 0.000 1.006 127 S CA 0.643 58.633 58.200 -0.350 0.000 0.934 127 S CB -0.664 62.314 63.200 -0.370 0.000 0.778 127 S HN 1.240 nan 8.310 nan 0.000 0.517 128 G N 1.902 110.642 108.800 -0.101 0.000 2.187 128 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.261 128 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.261 128 G C 0.529 175.404 174.900 -0.043 0.000 1.000 128 G CA 0.871 45.939 45.100 -0.053 0.000 0.718 128 G HN 1.980 nan 8.290 nan 0.000 0.519 129 S N -3.888 111.781 115.700 -0.051 0.000 3.587 129 S HA 0.284 4.754 4.470 -0.000 0.000 0.337 129 S C 1.603 176.211 174.600 0.012 0.000 1.119 129 S CA 1.567 59.759 58.200 -0.015 0.000 0.976 129 S CB -1.604 61.604 63.200 0.013 0.000 0.922 129 S HN 2.940 nan 8.310 nan 0.000 0.503 130 G N -1.563 107.232 108.800 -0.008 0.000 2.321 130 G HA2 0.691 4.651 3.960 -0.000 0.000 0.298 130 G HA3 0.691 4.651 3.960 -0.000 0.000 0.298 130 G C 0.270 175.158 174.900 -0.020 0.000 1.385 130 G CA 0.898 46.008 45.100 0.018 0.000 0.856 130 G HN 2.371 nan 8.290 nan 0.000 0.584 131 G N -0.935 107.854 108.800 -0.019 0.000 2.562 131 G HA2 0.120 4.080 3.960 -0.000 0.000 0.250 131 G HA3 0.120 4.080 3.960 -0.000 0.000 0.250 131 G C 1.220 176.069 174.900 -0.084 0.000 1.269 131 G CA 0.613 45.664 45.100 -0.082 0.000 0.919 131 G HN 2.238 nan 8.290 nan 0.000 0.574 132 L N 0.355 121.522 121.223 -0.092 0.000 2.026 132 L HA -0.207 4.133 4.340 -0.000 0.000 0.231 132 L C 3.145 180.000 176.870 -0.026 0.000 1.095 132 L CA 3.612 58.413 54.840 -0.064 0.000 0.810 132 L CB -1.094 40.937 42.059 -0.046 0.000 0.909 132 L HN 0.999 nan 8.230 nan 0.000 0.444 133 V N -1.024 118.876 119.914 -0.024 0.000 2.343 133 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 133 V C 2.486 178.556 176.094 -0.041 0.000 1.051 133 V CA 2.067 64.347 62.300 -0.034 0.000 1.036 133 V CB -0.694 31.050 31.823 -0.130 0.000 0.654 133 V HN 0.594 nan 8.190 nan 0.000 0.451 134 M N 0.926 120.508 119.600 -0.029 0.000 2.229 134 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 134 M C 1.765 178.112 176.300 0.080 0.000 1.063 134 M CA 1.487 56.799 55.300 0.020 0.000 1.114 134 M CB -0.934 31.699 32.600 0.056 0.000 1.387 134 M HN 0.329 nan 8.290 nan 0.000 0.420 135 N N -0.827 117.916 118.700 0.070 0.000 2.188 135 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 135 N C 1.556 177.125 175.510 0.099 0.000 1.018 135 N CA 1.949 55.074 53.050 0.125 0.000 0.858 135 N CB -0.805 37.698 38.487 0.026 0.000 0.989 135 N HN 0.395 nan 8.380 nan 0.000 0.426 136 T N 1.671 116.259 114.554 0.057 0.000 2.737 136 T HA 0.055 4.405 4.350 -0.000 0.000 0.265 136 T C 2.084 176.814 174.700 0.051 0.000 1.038 136 T CA 0.579 62.712 62.100 0.055 0.000 1.144 136 T CB -0.163 68.737 68.868 0.053 0.000 0.866 136 T HN 0.166 nan 8.240 nan 0.000 0.434 137 I N 1.299 121.890 120.570 0.035 0.000 2.208 137 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 137 I C 2.656 178.832 176.117 0.100 0.000 1.097 137 I CA 0.996 62.317 61.300 0.035 0.000 1.363 137 I CB -0.394 37.596 38.000 -0.016 0.000 1.051 137 I HN 0.204 nan 8.210 nan 0.000 0.413 138 S N -0.140 115.629 115.700 0.116 0.000 2.368 138 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 138 S C 2.173 176.807 174.600 0.057 0.000 1.030 138 S CA 1.400 59.673 58.200 0.123 0.000 0.999 138 S CB -0.648 62.637 63.200 0.141 0.000 0.844 138 S HN 0.567 nan 8.310 nan 0.000 0.459 139 C N 1.485 120.804 119.300 0.032 0.000 2.429 139 C HA -0.040 4.420 4.460 -0.000 0.000 0.277 139 C C 2.636 177.634 174.990 0.013 0.000 1.262 139 C CA 0.796 59.796 59.018 -0.030 0.000 1.733 139 C CB -1.312 26.430 27.740 0.003 0.000 2.010 139 C HN 0.415 nan 8.230 nan 0.000 0.483 140 V N 0.657 120.606 119.914 0.059 0.000 2.295 140 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 140 V C 2.165 178.323 176.094 0.106 0.000 1.049 140 V CA 2.620 64.967 62.300 0.079 0.000 1.024 140 V CB -0.912 30.954 31.823 0.071 0.000 0.648 140 V HN 0.599 nan 8.190 nan 0.000 0.447 141 D N -0.030 120.456 120.400 0.142 0.000 2.116 141 D HA -0.198 4.442 4.640 -0.000 0.000 0.193 141 D C 2.041 178.521 176.300 0.299 0.000 0.998 141 D CA 1.564 55.689 54.000 0.208 0.000 0.836 141 D CB -0.159 40.794 40.800 0.255 0.000 0.951 141 D HN 0.382 nan 8.370 nan 0.000 0.449 142 L N -0.062 121.282 121.223 0.202 0.000 2.056 142 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 142 L C 2.631 179.669 176.870 0.281 0.000 1.078 142 L CA 1.024 55.991 54.840 0.212 0.000 0.749 142 L CB -0.553 41.341 42.059 -0.274 0.000 0.901 142 L HN 0.108 nan 8.230 nan 0.000 0.433 143 A N 0.222 123.126 122.820 0.141 0.000 1.933 143 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 143 A C 2.243 179.951 177.584 0.208 0.000 1.175 143 A CA 1.446 53.587 52.037 0.173 0.000 0.628 143 A CB -0.656 18.436 19.000 0.155 0.000 0.814 143 A HN 0.369 nan 8.150 nan 0.000 0.444 144 L N -2.912 118.404 121.223 0.155 0.000 2.093 144 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 144 L C 2.565 179.473 176.870 0.063 0.000 1.085 144 L CA 1.167 56.038 54.840 0.051 0.000 0.755 144 L CB -0.503 41.507 42.059 -0.082 0.000 0.904 144 L HN 0.590 nan 8.230 nan 0.000 0.435 145 W N 0.608 122.023 121.300 0.191 0.000 2.388 145 W HA -0.197 4.462 4.660 -0.000 0.000 0.294 145 W C 2.365 178.936 176.519 0.087 0.000 1.212 145 W CA 1.222 58.675 57.345 0.179 0.000 1.271 145 W CB -0.189 29.394 29.460 0.206 0.000 1.126 145 W HN 0.209 nan 8.180 nan 0.000 0.535 146 D N 0.060 120.700 120.400 0.400 0.000 2.097 146 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 146 D C 2.050 178.456 176.300 0.176 0.000 0.989 146 D CA 1.355 55.504 54.000 0.248 0.000 0.827 146 D CB -0.359 40.660 40.800 0.365 0.000 0.966 146 D HN -0.020 nan 8.370 nan 0.000 0.456 147 L N -0.286 121.060 121.223 0.205 0.000 2.017 147 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 147 L C 2.049 179.025 176.870 0.176 0.000 1.073 147 L CA 1.617 56.561 54.840 0.174 0.000 0.745 147 L CB -1.098 41.056 42.059 0.158 0.000 0.894 147 L HN 0.099 nan 8.230 nan 0.000 0.432 148 F N 0.678 120.624 119.950 -0.007 0.000 2.126 148 F HA -0.064 4.463 4.527 0.000 0.000 0.299 148 F C 2.213 178.006 175.800 -0.010 0.000 1.096 148 F CA 1.567 59.542 58.000 -0.042 0.000 1.255 148 F CB -1.133 37.786 39.000 -0.135 0.000 0.997 148 F HN 0.151 nan 8.300 nan 0.000 0.479 149 G N -0.269 108.486 108.800 -0.075 0.000 2.422 149 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 149 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 149 G C 1.783 176.591 174.900 -0.153 0.000 1.140 149 G CA 0.637 45.606 45.100 -0.219 0.000 0.775 149 G HN 0.358 nan 8.290 nan 0.000 0.545 150 K N -0.165 120.206 120.400 -0.049 0.000 2.167 150 K HA 0.103 4.423 4.320 -0.000 0.000 0.203 150 K C 2.514 179.105 176.600 -0.015 0.000 1.052 150 K CA 0.459 56.741 56.287 -0.008 0.000 0.956 150 K CB -0.004 32.532 32.500 0.061 0.000 0.735 150 K HN 0.194 nan 8.250 nan 0.000 0.451 151 V N 0.794 120.701 119.914 -0.012 0.000 2.270 151 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 151 V C 2.148 178.206 176.094 -0.061 0.000 1.043 151 V CA 1.444 63.743 62.300 -0.001 0.000 1.014 151 V CB -0.176 31.685 31.823 0.062 0.000 0.645 151 V HN 0.051 nan 8.190 nan 0.000 0.447 152 V N 0.270 120.081 119.914 -0.172 0.000 2.515 152 V HA 0.072 4.192 4.120 -0.000 0.000 0.250 152 V C 1.752 177.758 176.094 -0.147 0.000 1.058 152 V CA 1.614 63.786 62.300 -0.213 0.000 1.064 152 V CB -0.932 30.627 31.823 -0.440 0.000 0.675 152 V HN 0.836 nan 8.190 nan 0.000 0.461 153 G N -0.019 108.702 108.800 -0.132 0.000 2.164 153 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 153 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 153 G C -0.346 174.489 174.900 -0.108 0.000 1.031 153 G CA 0.122 45.168 45.100 -0.089 0.000 0.730 153 G HN 0.404 nan 8.290 nan 0.000 0.501 154 L N -0.708 120.422 121.223 -0.154 0.000 2.393 154 L HA 0.570 4.910 4.340 -0.000 0.000 0.260 154 L C -2.407 174.353 176.870 -0.182 0.000 1.002 154 L CA -2.635 52.103 54.840 -0.169 0.000 0.818 154 L CB 2.730 44.668 42.059 -0.203 0.000 1.369 154 L HN -0.131 nan 8.230 nan 0.000 0.412 155 P HA 0.092 nan 4.420 nan 0.000 0.275 155 P C 0.737 177.907 177.300 -0.217 0.000 1.228 155 P CA -0.379 62.644 63.100 -0.129 0.000 0.786 155 P CB 1.013 32.702 31.700 -0.017 0.000 0.927 156 V N 2.341 122.066 119.914 -0.315 0.000 2.392 156 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 156 V C 2.073 178.122 176.094 -0.076 0.000 1.059 156 V CA 2.153 64.264 62.300 -0.315 0.000 1.051 156 V CB -1.650 29.704 31.823 -0.782 0.000 0.658 156 V HN 0.658 nan 8.190 nan 0.000 0.455 157 Y N 1.221 121.605 120.300 0.140 0.000 2.256 157 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 157 Y C 2.178 178.065 175.900 -0.022 0.000 1.155 157 Y CA 1.516 59.635 58.100 0.031 0.000 1.203 157 Y CB -0.628 37.825 38.460 -0.012 0.000 0.980 157 Y HN 0.146 nan 8.280 nan 0.000 0.530 158 K N 0.583 120.621 120.400 -0.602 0.000 2.167 158 K HA 0.045 4.365 4.320 -0.000 0.000 0.203 158 K C 2.009 178.495 176.600 -0.190 0.000 1.052 158 K CA 1.162 57.171 56.287 -0.464 0.000 0.956 158 K CB -0.169 31.998 32.500 -0.556 0.000 0.735 158 K HN 0.377 nan 8.250 nan 0.000 0.451 159 L N 1.014 122.147 121.223 -0.151 0.000 2.191 159 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 159 L C 1.999 178.886 176.870 0.029 0.000 1.103 159 L CA 0.918 55.737 54.840 -0.035 0.000 0.769 159 L CB -0.269 41.807 42.059 0.029 0.000 0.908 159 L HN 0.169 nan 8.230 nan 0.000 0.438 160 L N -0.818 120.390 121.223 -0.024 0.000 2.554 160 L HA 0.094 4.434 4.340 -0.000 0.000 0.226 160 L C 1.365 178.252 176.870 0.029 0.000 1.137 160 L CA 0.721 55.554 54.840 -0.012 0.000 0.863 160 L CB -0.184 41.832 42.059 -0.071 0.000 0.985 160 L HN 0.488 nan 8.230 nan 0.000 0.451 161 G N -1.022 107.791 108.800 0.020 0.000 2.198 161 G HA2 0.060 4.020 3.960 -0.000 0.000 0.156 161 G HA3 0.060 4.020 3.960 -0.000 0.000 0.156 161 G C 0.508 175.432 174.900 0.039 0.000 1.012 161 G CA -0.336 44.783 45.100 0.033 0.000 0.692 161 G HN 0.696 nan 8.290 nan 0.000 0.492 162 G N -0.740 108.090 108.800 0.049 0.000 2.746 162 G HA2 0.447 4.407 3.960 -0.000 0.000 0.685 162 G HA3 0.447 4.407 3.960 -0.000 0.000 0.685 162 G C 0.302 175.308 174.900 0.177 0.000 1.350 162 G CA 0.749 45.921 45.100 0.121 0.000 0.837 162 G HN 2.105 nan 8.290 nan 0.000 0.564 163 A N -0.693 122.266 122.820 0.231 0.000 2.388 163 A HA 0.722 5.042 4.320 -0.000 0.000 0.257 163 A C 1.575 179.160 177.584 0.002 0.000 1.095 163 A CA 0.653 52.709 52.037 0.031 0.000 0.791 163 A CB 1.011 19.933 19.000 -0.129 0.000 1.029 163 A HN 2.355 nan 8.150 nan 0.000 0.489 164 V N -0.403 119.492 119.914 -0.031 0.000 3.427 164 V HA 0.416 4.536 4.120 -0.000 0.000 0.305 164 V C 0.275 176.346 176.094 -0.038 0.000 1.412 164 V CA 0.270 62.561 62.300 -0.015 0.000 1.086 164 V CB -1.559 30.269 31.823 0.008 0.000 0.964 164 V HN 0.955 nan 8.190 nan 0.000 0.439 165 R N -1.914 118.538 120.500 -0.080 0.000 2.629 165 R HA 0.491 4.831 4.340 -0.000 0.000 0.266 165 R C -0.919 175.287 176.300 -0.158 0.000 1.051 165 R CA -0.589 55.455 56.100 -0.094 0.000 0.895 165 R CB 0.996 31.242 30.300 -0.089 0.000 1.246 165 R HN -0.058 nan 8.270 nan 0.000 0.459 166 D N 0.965 121.274 120.400 -0.151 0.000 2.312 166 D HA -0.061 4.579 4.640 -0.000 0.000 0.211 166 D C -0.186 175.880 176.300 -0.391 0.000 0.964 166 D CA 1.376 55.221 54.000 -0.258 0.000 0.877 166 D CB 0.433 41.151 40.800 -0.137 0.000 0.924 166 D HN 0.637 nan 8.370 nan 0.000 0.515 167 E N -0.664 119.395 120.200 -0.235 0.000 2.407 167 E HA 0.446 4.796 4.350 -0.000 0.000 0.279 167 E C -1.107 175.386 176.600 -0.177 0.000 1.012 167 E CA -0.776 55.505 56.400 -0.197 0.000 0.800 167 E CB 1.319 30.983 29.700 -0.061 0.000 1.276 167 E HN -0.173 nan 8.360 nan 0.000 0.452 168 I N 2.298 122.749 120.570 -0.197 0.000 2.336 168 I HA 0.152 4.322 4.170 -0.000 0.000 0.292 168 I C -0.015 175.927 176.117 -0.292 0.000 0.991 168 I CA -0.646 60.464 61.300 -0.316 0.000 1.227 168 I CB 1.417 39.118 38.000 -0.498 0.000 1.366 168 I HN 0.493 nan 8.210 nan 0.000 0.466 169 Q N 5.907 125.558 119.800 -0.249 0.000 2.230 169 Q HA 0.621 4.961 4.340 -0.000 0.000 0.253 169 Q C -1.603 174.303 176.000 -0.156 0.000 0.919 169 Q CA -0.538 55.215 55.803 -0.083 0.000 0.908 169 Q CB 1.870 30.603 28.738 -0.008 0.000 1.245 169 Q HN 0.406 nan 8.270 nan 0.000 0.437 170 F N 1.280 121.318 119.950 0.146 0.000 2.561 170 F HA 0.466 4.993 4.527 0.000 0.000 0.321 170 F C -0.619 175.387 175.800 0.342 0.000 1.065 170 F CA -1.131 57.026 58.000 0.263 0.000 0.934 170 F CB 1.494 40.692 39.000 0.330 0.000 1.215 170 F HN 0.615 nan 8.300 nan 0.000 0.471 171 Y N 0.654 121.197 120.300 0.405 0.000 2.487 171 Y HA 0.896 5.446 4.550 -0.000 0.000 0.337 171 Y C -0.897 174.998 175.900 -0.008 0.000 1.076 171 Y CA -1.888 56.287 58.100 0.124 0.000 1.115 171 Y CB 0.912 39.402 38.460 0.050 0.000 1.235 171 Y HN 0.682 nan 8.280 nan 0.000 0.468 172 A N 1.782 124.502 122.820 -0.165 0.000 2.317 172 A HA 0.673 4.993 4.320 -0.000 0.000 0.327 172 A C -0.708 176.802 177.584 -0.122 0.000 1.178 172 A CA -0.768 50.990 52.037 -0.466 0.000 0.817 172 A CB 0.596 19.004 19.000 -0.985 0.000 1.189 172 A HN 0.806 nan 8.150 nan 0.000 0.489 173 T N 1.450 115.914 114.554 -0.151 0.000 2.749 173 T HA 0.715 5.065 4.350 -0.000 0.000 0.287 173 T C 0.367 174.867 174.700 -0.335 0.000 0.970 173 T CA 0.473 62.534 62.100 -0.065 0.000 0.980 173 T CB 1.158 70.067 68.868 0.069 0.000 0.924 173 T HN 1.628 nan 8.240 nan 0.000 0.456 174 G N 0.942 109.386 108.800 -0.593 0.000 2.317 174 G HA2 0.477 4.437 3.960 -0.000 0.000 0.293 174 G HA3 0.477 4.437 3.960 -0.000 0.000 0.293 174 G C 0.195 174.582 174.900 -0.855 0.000 1.287 174 G CA -0.160 44.036 45.100 -1.506 0.000 0.850 174 G HN 0.629 nan 8.290 nan 0.000 0.515 175 A N -0.779 121.545 122.820 -0.826 0.000 2.208 175 A HA 0.369 4.689 4.320 -0.000 0.000 0.209 175 A C 1.101 178.597 177.584 -0.147 0.000 1.161 175 A CA 0.854 52.757 52.037 -0.224 0.000 0.782 175 A CB -0.073 18.945 19.000 0.030 0.000 0.816 175 A HN 0.275 nan 8.150 nan 0.000 0.477 176 R N -0.540 119.835 120.500 -0.209 0.000 2.651 176 R HA 0.251 4.591 4.340 -0.000 0.000 0.282 176 R C -2.545 173.715 176.300 -0.066 0.000 1.565 176 R CA -1.974 54.061 56.100 -0.109 0.000 1.661 176 R CB 0.098 30.339 30.300 -0.099 0.000 1.189 176 R HN 0.141 nan 8.270 nan 0.000 0.621 177 P HA -0.187 nan 4.420 nan 0.000 0.218 177 P C 0.905 178.187 177.300 -0.031 0.000 1.148 177 P CA 1.310 64.485 63.100 0.126 0.000 0.822 177 P CB 0.335 32.169 31.700 0.222 0.000 0.784 178 D N -0.313 120.029 120.400 -0.097 0.000 2.144 178 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 178 D C 1.881 178.079 176.300 -0.169 0.000 0.984 178 D CA 1.235 55.123 54.000 -0.187 0.000 0.834 178 D CB -1.218 39.511 40.800 -0.120 0.000 0.955 178 D HN 0.216 nan 8.370 nan 0.000 0.465 179 L N 0.239 121.406 121.223 -0.092 0.000 2.179 179 L HA 0.061 4.401 4.340 -0.000 0.000 0.208 179 L C 2.790 179.657 176.870 -0.005 0.000 1.096 179 L CA 0.854 55.661 54.840 -0.055 0.000 0.779 179 L CB -0.446 41.592 42.059 -0.035 0.000 0.922 179 L HN 0.057 nan 8.230 nan 0.000 0.443 180 A N 0.495 123.340 122.820 0.041 0.000 1.902 180 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 180 A C 2.387 180.117 177.584 0.245 0.000 1.181 180 A CA 1.912 54.102 52.037 0.255 0.000 0.623 180 A CB -0.414 18.722 19.000 0.226 0.000 0.818 180 A HN 0.319 nan 8.150 nan 0.000 0.443 181 K N -0.196 120.104 120.400 -0.168 0.000 2.103 181 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 181 K C 1.957 178.447 176.600 -0.184 0.000 1.048 181 K CA 1.780 57.802 56.287 -0.441 0.000 0.930 181 K CB -0.161 31.678 32.500 -1.102 0.000 0.716 181 K HN 0.604 nan 8.250 nan 0.000 0.444 182 E N -0.076 120.035 120.200 -0.147 0.000 2.268 182 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 182 E C 1.541 178.088 176.600 -0.088 0.000 0.995 182 E CA 0.832 57.167 56.400 -0.108 0.000 0.836 182 E CB 0.096 29.741 29.700 -0.092 0.000 0.763 182 E HN 0.374 nan 8.360 nan 0.000 0.491 183 M N -1.221 118.346 119.600 -0.055 0.000 2.561 183 M HA 0.135 4.615 4.480 -0.000 0.000 0.238 183 M C 1.145 177.254 176.300 -0.319 0.000 1.131 183 M CA 0.785 55.998 55.300 -0.145 0.000 1.046 183 M CB 0.983 33.552 32.600 -0.052 0.000 1.532 183 M HN 0.325 nan 8.290 nan 0.000 0.497 184 G N 0.193 108.872 108.800 -0.203 0.000 2.176 184 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.232 184 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.232 184 G C -0.005 174.791 174.900 -0.174 0.000 0.986 184 G CA -0.627 44.345 45.100 -0.213 0.000 0.643 184 G HN 0.320 nan 8.290 nan 0.000 0.522 185 F N 0.721 120.699 119.950 0.048 0.000 2.490 185 F HA 0.428 4.955 4.527 -0.000 0.000 0.336 185 F C 2.165 178.044 175.800 0.132 0.000 1.178 185 F CA 0.147 58.207 58.000 0.100 0.000 1.301 185 F CB 0.497 39.591 39.000 0.156 0.000 1.175 185 F HN 0.156 nan 8.300 nan 0.000 0.593 186 I N -0.954 119.670 120.570 0.091 0.000 3.728 186 I HA 0.474 4.644 4.170 -0.000 0.000 0.307 186 I C 0.627 176.189 176.117 -0.925 0.000 1.276 186 I CA 0.363 61.437 61.300 -0.377 0.000 1.285 186 I CB -0.459 37.128 38.000 -0.689 0.000 1.038 186 I HN 0.471 nan 8.210 nan 0.000 0.445 187 G N 0.018 108.333 108.800 -0.809 0.000 2.576 187 G HA2 0.562 4.522 3.960 -0.000 0.000 0.290 187 G HA3 0.562 4.522 3.960 -0.000 0.000 0.290 187 G C -1.485 173.018 174.900 -0.661 0.000 1.442 187 G CA -0.287 44.041 45.100 -1.286 0.000 0.792 187 G HN 0.236 nan 8.290 nan 0.000 0.491 188 G N -0.199 108.292 108.800 -0.515 0.000 2.723 188 G HA2 0.568 4.528 3.960 -0.000 0.000 0.295 188 G HA3 0.568 4.528 3.960 -0.000 0.000 0.295 188 G C -1.079 173.756 174.900 -0.109 0.000 1.464 188 G CA -0.573 44.501 45.100 -0.043 0.000 1.012 188 G HN 0.550 nan 8.290 nan 0.000 0.522 189 K N 2.783 123.160 120.400 -0.037 0.000 2.265 189 K HA 0.635 4.955 4.320 -0.000 0.000 0.267 189 K C -0.107 176.483 176.600 -0.018 0.000 0.994 189 K CA -0.554 55.688 56.287 -0.076 0.000 0.860 189 K CB 0.956 33.485 32.500 0.049 0.000 1.099 189 K HN 0.449 nan 8.250 nan 0.000 0.448 190 M N 5.644 125.236 119.600 -0.013 0.000 2.537 190 M HA 0.442 4.922 4.480 -0.000 0.000 0.324 190 M C -2.231 174.117 176.300 0.081 0.000 1.187 190 M CA -2.158 53.157 55.300 0.025 0.000 0.993 190 M CB 1.963 34.586 32.600 0.038 0.000 1.666 190 M HN 0.466 nan 8.290 nan 0.000 0.461 191 P HA 0.209 nan 4.420 nan 0.000 0.284 191 P C -0.936 176.288 177.300 -0.126 0.000 1.258 191 P CA -0.429 62.706 63.100 0.058 0.000 0.824 191 P CB 0.812 32.576 31.700 0.106 0.000 1.038 192 T N -0.941 113.590 114.554 -0.038 0.000 2.913 192 T HA 0.215 4.565 4.350 -0.000 0.000 0.297 192 T C 0.907 175.469 174.700 -0.230 0.000 1.029 192 T CA -0.259 61.835 62.100 -0.010 0.000 1.104 192 T CB 0.362 69.327 68.868 0.162 0.000 0.964 192 T HN 0.411 nan 8.240 nan 0.000 0.532 193 H N 0.134 119.192 119.070 -0.020 0.000 2.740 193 H HA 0.205 4.761 4.556 0.000 0.000 0.265 193 H C -0.477 174.487 175.328 -0.607 0.000 0.978 193 H CA -0.186 55.665 56.048 -0.328 0.000 1.198 193 H CB 0.407 29.826 29.762 -0.571 0.000 1.467 193 H HN 0.633 nan 8.280 nan 0.000 0.511 194 W N 0.358 121.829 121.300 0.285 0.000 2.799 194 W HA 0.574 5.234 4.660 -0.000 0.000 0.349 194 W C 0.433 176.976 176.519 0.041 0.000 1.100 194 W CA -0.841 56.607 57.345 0.171 0.000 1.174 194 W CB 1.305 30.853 29.460 0.147 0.000 1.427 194 W HN -0.038 nan 8.180 nan 0.000 0.547 195 G N -0.094 108.661 108.800 -0.075 0.000 3.105 195 G HA2 0.494 4.454 3.960 -0.000 0.000 0.277 195 G HA3 0.494 4.454 3.960 -0.000 0.000 0.277 195 G C -2.433 171.858 174.900 -1.015 0.000 1.375 195 G CA -1.375 43.434 45.100 -0.486 0.000 0.962 195 G HN 0.137 nan 8.290 nan 0.000 0.541 196 P HA -0.225 nan 4.420 nan 0.000 0.218 196 P C 1.543 178.682 177.300 -0.267 0.000 1.154 196 P CA 1.993 64.655 63.100 -0.730 0.000 0.872 196 P CB -0.109 31.400 31.700 -0.318 0.000 0.790 197 H N -1.804 117.178 119.070 -0.146 0.000 2.518 197 H HA -0.010 4.546 4.556 -0.000 0.000 0.289 197 H C 0.851 176.198 175.328 0.033 0.000 1.051 197 H CA 1.055 57.078 56.048 -0.041 0.000 1.280 197 H CB -1.015 28.721 29.762 -0.044 0.000 1.380 197 H HN 0.205 nan 8.280 nan 0.000 0.566 198 D N 1.057 121.264 120.400 -0.320 0.000 2.349 198 D HA 0.097 4.737 4.640 -0.000 0.000 0.215 198 D C 1.529 177.839 176.300 0.016 0.000 1.016 198 D CA 0.849 54.800 54.000 -0.081 0.000 0.870 198 D CB 0.367 41.170 40.800 0.005 0.000 0.917 198 D HN 0.582 nan 8.370 nan 0.000 0.524 199 G N 2.117 110.964 108.800 0.079 0.000 2.594 199 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.297 199 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.297 199 G C 0.679 175.679 174.900 0.167 0.000 1.273 199 G CA 0.439 45.631 45.100 0.153 0.000 0.974 199 G HN 0.157 nan 8.290 nan 0.000 0.552 200 D N 0.667 121.109 120.400 0.070 0.000 2.178 200 D HA 0.019 4.659 4.640 -0.000 0.000 0.201 200 D C 2.756 179.048 176.300 -0.013 0.000 0.980 200 D CA 1.743 55.757 54.000 0.023 0.000 0.842 200 D CB -0.493 40.309 40.800 0.005 0.000 0.948 200 D HN 0.696 nan 8.370 nan 0.000 0.472 201 A N 1.190 123.982 122.820 -0.048 0.000 1.902 201 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 201 A C 2.419 179.882 177.584 -0.201 0.000 1.181 201 A CA 1.954 53.906 52.037 -0.141 0.000 0.623 201 A CB -1.019 17.864 19.000 -0.194 0.000 0.818 201 A HN 0.298 nan 8.150 nan 0.000 0.443 202 G N -0.046 108.694 108.800 -0.101 0.000 2.418 202 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 202 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 202 G C 1.525 176.525 174.900 0.166 0.000 1.158 202 G CA 1.116 46.236 45.100 0.034 0.000 0.771 202 G HN 0.472 nan 8.290 nan 0.000 0.545 203 I N 0.028 120.662 120.570 0.107 0.000 2.252 203 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 203 I C 2.822 178.958 176.117 0.030 0.000 1.102 203 I CA 1.130 62.434 61.300 0.007 0.000 1.385 203 I CB -0.197 37.730 38.000 -0.121 0.000 1.064 203 I HN 0.118 nan 8.210 nan 0.000 0.414 204 R N 1.453 121.953 120.500 -0.001 0.000 2.081 204 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 204 R C 2.233 178.535 176.300 0.003 0.000 1.131 204 R CA 1.548 57.648 56.100 -0.001 0.000 0.960 204 R CB -0.025 30.257 30.300 -0.031 0.000 0.856 204 R HN 0.270 nan 8.270 nan 0.000 0.436 205 K N 0.026 120.404 120.400 -0.037 0.000 2.025 205 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 205 K C 1.732 178.436 176.600 0.174 0.000 1.049 205 K CA 1.608 57.898 56.287 0.005 0.000 0.933 205 K CB -0.067 32.300 32.500 -0.221 0.000 0.714 205 K HN 0.234 nan 8.250 nan 0.000 0.438 206 D N 0.473 121.037 120.400 0.274 0.000 2.183 206 D HA -0.066 4.574 4.640 -0.000 0.000 0.203 206 D C 1.781 178.167 176.300 0.142 0.000 0.969 206 D CA 0.879 55.046 54.000 0.277 0.000 0.842 206 D CB 0.022 41.015 40.800 0.322 0.000 0.957 206 D HN 0.182 nan 8.370 nan 0.000 0.484 207 A N 1.114 123.998 122.820 0.107 0.000 1.930 207 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 207 A C 2.311 179.865 177.584 -0.050 0.000 1.175 207 A CA 1.882 53.967 52.037 0.080 0.000 0.627 207 A CB -0.510 18.574 19.000 0.139 0.000 0.815 207 A HN 0.221 nan 8.150 nan 0.000 0.443 208 A N -0.571 122.230 122.820 -0.030 0.000 1.930 208 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 208 A C 2.240 179.759 177.584 -0.109 0.000 1.175 208 A CA 1.769 53.749 52.037 -0.095 0.000 0.627 208 A CB -0.534 18.446 19.000 -0.033 0.000 0.815 208 A HN 0.636 nan 8.150 nan 0.000 0.443 209 M N -0.257 119.332 119.600 -0.019 0.000 2.117 209 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 209 M C 1.845 178.111 176.300 -0.057 0.000 1.065 209 M CA 2.030 57.334 55.300 0.007 0.000 1.114 209 M CB -0.208 32.459 32.600 0.111 0.000 1.361 209 M HN 0.199 nan 8.290 nan 0.000 0.408 210 V N 0.904 120.763 119.914 -0.091 0.000 2.307 210 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 210 V C 2.743 178.640 176.094 -0.328 0.000 1.045 210 V CA 1.839 64.059 62.300 -0.134 0.000 1.024 210 V CB -1.484 30.301 31.823 -0.064 0.000 0.651 210 V HN 0.660 nan 8.190 nan 0.000 0.449 211 A N 0.287 122.695 122.820 -0.686 0.000 1.908 211 A HA -0.338 3.982 4.320 -0.000 0.000 0.218 211 A C 2.035 179.380 177.584 -0.398 0.000 1.181 211 A CA 2.400 53.822 52.037 -1.025 0.000 0.627 211 A CB -0.766 17.507 19.000 -1.212 0.000 0.818 211 A HN 0.638 nan 8.150 nan 0.000 0.445 212 D N -1.147 119.106 120.400 -0.245 0.000 2.097 212 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 212 D C 1.903 178.153 176.300 -0.083 0.000 0.989 212 D CA 1.592 55.518 54.000 -0.123 0.000 0.827 212 D CB -0.146 40.606 40.800 -0.080 0.000 0.966 212 D HN 0.248 nan 8.370 nan 0.000 0.456 213 M N -0.033 119.525 119.600 -0.071 0.000 2.296 213 M HA -0.020 4.460 4.480 -0.000 0.000 0.265 213 M C 2.134 178.436 176.300 0.004 0.000 1.064 213 M CA 0.780 56.067 55.300 -0.022 0.000 1.109 213 M CB -0.723 31.883 32.600 0.011 0.000 1.396 213 M HN 0.048 nan 8.290 nan 0.000 0.430 214 R N 0.969 121.458 120.500 -0.017 0.000 2.075 214 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 214 R C 1.911 178.232 176.300 0.036 0.000 1.126 214 R CA 1.721 57.847 56.100 0.044 0.000 0.963 214 R CB -0.517 29.826 30.300 0.073 0.000 0.858 214 R HN 0.208 nan 8.270 nan 0.000 0.435 215 E N 0.564 120.763 120.200 -0.002 0.000 2.077 215 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 215 E C 1.463 178.057 176.600 -0.010 0.000 0.989 215 E CA 1.775 58.176 56.400 0.002 0.000 0.800 215 E CB 0.027 29.718 29.700 -0.016 0.000 0.746 215 E HN 0.398 nan 8.360 nan 0.000 0.452 216 K N -1.120 119.264 120.400 -0.026 0.000 2.155 216 K HA 0.014 4.334 4.320 -0.000 0.000 0.203 216 K C 1.893 178.449 176.600 -0.073 0.000 1.052 216 K CA 1.160 57.418 56.287 -0.048 0.000 0.948 216 K CB 0.065 32.531 32.500 -0.058 0.000 0.728 216 K HN 0.213 nan 8.250 nan 0.000 0.448 217 C N 0.356 119.624 119.300 -0.053 0.000 2.799 217 C HA 0.318 4.777 4.460 -0.000 0.000 0.267 217 C C 0.969 175.959 174.990 0.000 0.000 1.257 217 C CA -0.189 58.770 59.018 -0.098 0.000 1.702 217 C CB -0.817 26.885 27.740 -0.063 0.000 1.934 217 C HN 0.691 nan 8.230 nan 0.000 0.594 218 G N 2.138 110.959 108.800 0.036 0.000 2.795 218 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.664 218 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.664 218 G C -1.590 173.376 174.900 0.110 0.000 1.381 218 G CA -0.070 45.066 45.100 0.060 0.000 0.853 218 G HN 0.065 nan 8.290 nan 0.000 0.545 219 P HA 0.066 nan 4.420 nan 0.000 0.222 219 P C 0.687 178.074 177.300 0.144 0.000 1.153 219 P CA 1.589 64.757 63.100 0.114 0.000 0.798 219 P CB 0.204 31.955 31.700 0.084 0.000 0.796 220 D N -0.941 119.545 120.400 0.144 0.000 2.333 220 D HA 0.011 4.651 4.640 -0.000 0.000 0.208 220 D C 0.456 176.856 176.300 0.168 0.000 0.984 220 D CA 0.086 54.182 54.000 0.160 0.000 0.873 220 D CB -0.462 40.402 40.800 0.106 0.000 0.935 220 D HN 0.168 nan 8.370 nan 0.000 0.521 221 F N 2.369 122.320 119.950 0.001 0.000 2.472 221 F HA 0.143 4.670 4.527 0.000 0.000 0.364 221 F C 0.005 175.837 175.800 0.053 0.000 1.090 221 F CA -1.234 56.719 58.000 -0.079 0.000 1.188 221 F CB 0.362 39.328 39.000 -0.057 0.000 1.105 221 F HN -0.179 nan 8.300 nan 0.000 0.536 222 W N 7.485 128.440 121.300 -0.575 0.000 2.158 222 W HA 0.366 5.026 4.660 0.000 0.000 0.339 222 W C -0.756 175.416 176.519 -0.580 0.000 1.294 222 W CA -1.041 55.993 57.345 -0.519 0.000 1.231 222 W CB -0.158 28.961 29.460 -0.568 0.000 1.143 222 W HN 0.349 nan 8.180 nan 0.000 0.571 223 L N 3.630 124.765 121.223 -0.147 0.000 2.385 223 L HA 0.499 4.839 4.340 -0.000 0.000 0.273 223 L C -0.452 176.218 176.870 -0.332 0.000 0.990 223 L CA -0.972 53.759 54.840 -0.181 0.000 0.821 223 L CB 1.498 43.539 42.059 -0.031 0.000 1.279 223 L HN 0.219 nan 8.230 nan 0.000 0.412 224 M N 3.718 123.062 119.600 -0.427 0.000 2.631 224 M HA 0.597 5.077 4.480 -0.000 0.000 0.288 224 M C -1.121 175.008 176.300 -0.286 0.000 1.260 224 M CA -0.149 54.792 55.300 -0.598 0.000 0.842 224 M CB 2.424 34.191 32.600 -1.390 0.000 1.743 224 M HN 0.284 nan 8.290 nan 0.000 0.461 225 L N 0.976 122.100 121.223 -0.165 0.000 2.356 225 L HA 0.520 4.860 4.340 -0.000 0.000 0.277 225 L C -1.026 175.929 176.870 0.141 0.000 0.996 225 L CA -0.617 54.235 54.840 0.021 0.000 0.822 225 L CB 1.710 43.813 42.059 0.073 0.000 1.256 225 L HN 0.652 nan 8.230 nan 0.000 0.413 226 D N 2.094 122.610 120.400 0.194 0.000 2.233 226 D HA 0.215 4.855 4.640 -0.000 0.000 0.240 226 D C -0.102 176.375 176.300 0.296 0.000 1.074 226 D CA -0.405 53.779 54.000 0.307 0.000 0.838 226 D CB 1.946 42.959 40.800 0.356 0.000 1.124 226 D HN 0.586 nan 8.370 nan 0.000 0.475 227 C N 3.134 122.633 119.300 0.332 0.000 3.183 227 C HA 0.139 4.599 4.460 -0.000 0.000 0.285 227 C C 0.551 175.769 174.990 0.380 0.000 1.313 227 C CA -0.933 58.271 59.018 0.309 0.000 1.711 227 C CB -2.019 25.883 27.740 0.270 0.000 2.135 227 C HN 0.886 nan 8.230 nan 0.000 0.651 228 W N 2.238 123.665 121.300 0.212 0.000 7.512 228 W HA -0.311 4.350 4.660 0.000 0.000 0.420 228 W C 0.942 177.544 176.519 0.139 0.000 1.669 228 W CA 1.022 58.494 57.345 0.212 0.000 1.211 228 W CB -1.407 28.165 29.460 0.187 0.000 2.898 228 W HN 0.616 nan 8.180 nan 0.000 1.644 229 M N -0.846 118.793 119.600 0.066 0.000 2.811 229 M HA -0.393 4.087 4.480 -0.000 0.000 0.183 229 M C 1.471 177.773 176.300 0.002 0.000 0.618 229 M CA 1.587 56.860 55.300 -0.046 0.000 0.633 229 M CB -2.231 30.191 32.600 -0.296 0.000 2.305 229 M HN 0.396 nan 8.290 nan 0.000 0.472 230 S N -1.647 114.117 115.700 0.107 0.000 2.593 230 S HA 0.153 4.623 4.470 -0.000 0.000 0.217 230 S C 0.609 175.229 174.600 0.032 0.000 0.966 230 S CA 0.084 58.337 58.200 0.087 0.000 0.914 230 S CB 0.280 63.575 63.200 0.157 0.000 0.776 230 S HN 0.718 nan 8.310 nan 0.000 0.523 231 Q N 0.861 120.687 119.800 0.043 0.000 2.852 231 Q HA 0.580 4.920 4.340 -0.000 0.000 0.262 231 Q C -1.366 174.638 176.000 0.007 0.000 1.051 231 Q CA -1.106 54.719 55.803 0.038 0.000 0.894 231 Q CB 0.684 29.544 28.738 0.202 0.000 1.381 231 Q HN 0.450 nan 8.270 nan 0.000 0.501 232 D N -1.646 118.782 120.400 0.046 0.000 2.585 232 D HA 0.231 4.871 4.640 -0.000 0.000 0.254 232 D C 0.522 176.842 176.300 0.033 0.000 1.067 232 D CA -0.810 53.194 54.000 0.008 0.000 1.090 232 D CB 0.479 41.285 40.800 0.011 0.000 1.408 232 D HN 0.200 nan 8.370 nan 0.000 0.554 233 V N 0.245 120.157 119.914 -0.003 0.000 2.343 233 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 233 V C 2.238 178.362 176.094 0.050 0.000 1.051 233 V CA 2.379 64.682 62.300 0.005 0.000 1.036 233 V CB -1.176 30.640 31.823 -0.012 0.000 0.654 233 V HN 0.696 nan 8.190 nan 0.000 0.451 234 N N -0.425 118.312 118.700 0.062 0.000 2.084 234 N HA -0.244 4.496 4.740 -0.000 0.000 0.190 234 N C 1.866 177.436 175.510 0.101 0.000 1.030 234 N CA 1.864 54.955 53.050 0.068 0.000 0.849 234 N CB -0.417 38.109 38.487 0.064 0.000 1.012 234 N HN 0.529 nan 8.380 nan 0.000 0.423 235 Y N 0.612 120.926 120.300 0.025 0.000 2.181 235 Y HA -0.099 4.451 4.550 -0.000 0.000 0.288 235 Y C 2.275 178.210 175.900 0.059 0.000 1.146 235 Y CA 1.849 59.973 58.100 0.040 0.000 1.164 235 Y CB -0.694 37.791 38.460 0.041 0.000 0.982 235 Y HN 0.208 nan 8.280 nan 0.000 0.515 236 A N -0.941 121.984 122.820 0.175 0.000 1.902 236 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 236 A C 2.231 179.851 177.584 0.060 0.000 1.181 236 A CA 2.291 54.397 52.037 0.115 0.000 0.623 236 A CB -1.312 17.757 19.000 0.114 0.000 0.818 236 A HN 0.495 nan 8.150 nan 0.000 0.443 237 T N 0.019 114.614 114.554 0.069 0.000 2.708 237 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 237 T C 1.937 176.711 174.700 0.124 0.000 1.037 237 T CA 1.796 63.966 62.100 0.117 0.000 1.146 237 T CB -0.201 68.718 68.868 0.085 0.000 0.865 237 T HN 0.559 nan 8.240 nan 0.000 0.435 238 K N 0.433 120.832 120.400 -0.001 0.000 2.057 238 K HA 0.006 4.326 4.320 -0.000 0.000 0.207 238 K C 2.180 178.745 176.600 -0.059 0.000 1.049 238 K CA 0.815 57.075 56.287 -0.045 0.000 0.931 238 K CB -0.335 32.088 32.500 -0.128 0.000 0.714 238 K HN 0.115 nan 8.250 nan 0.000 0.440 239 L N 1.139 122.266 121.223 -0.160 0.000 2.056 239 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 239 L C 2.163 179.036 176.870 0.005 0.000 1.078 239 L CA 1.723 56.494 54.840 -0.115 0.000 0.749 239 L CB -0.743 41.226 42.059 -0.148 0.000 0.901 239 L HN 0.122 nan 8.230 nan 0.000 0.433 240 A N -1.309 121.526 122.820 0.026 0.000 1.865 240 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 240 A C 2.270 179.820 177.584 -0.056 0.000 1.191 240 A CA 1.822 53.861 52.037 0.003 0.000 0.623 240 A CB -1.052 17.947 19.000 -0.001 0.000 0.826 240 A HN 0.670 nan 8.150 nan 0.000 0.444 241 H N -0.733 118.331 119.070 -0.011 0.000 2.423 241 H HA -0.013 4.543 4.556 -0.000 0.000 0.297 241 H C 2.464 177.778 175.328 -0.024 0.000 1.075 241 H CA 1.233 57.269 56.048 -0.021 0.000 1.342 241 H CB -0.155 29.591 29.762 -0.026 0.000 1.395 241 H HN 0.551 nan 8.280 nan 0.000 0.530 242 A N 0.193 123.067 122.820 0.090 0.000 2.015 242 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 242 A C 2.428 180.086 177.584 0.122 0.000 1.163 242 A CA 1.175 53.261 52.037 0.081 0.000 0.646 242 A CB -0.564 18.477 19.000 0.069 0.000 0.806 242 A HN 0.455 nan 8.150 nan 0.000 0.448 243 C N -1.311 118.056 119.300 0.113 0.000 2.791 243 C HA 0.457 4.917 4.460 -0.000 0.000 0.270 243 C C 2.896 177.915 174.990 0.047 0.000 1.257 243 C CA -0.277 58.870 59.018 0.214 0.000 1.699 243 C CB -1.002 26.844 27.740 0.176 0.000 1.904 243 C HN 0.707 nan 8.230 nan 0.000 0.603 244 A N 2.396 125.168 122.820 -0.081 0.000 1.940 244 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 244 A C 0.034 177.485 177.584 -0.221 0.000 1.176 244 A CA 1.690 53.644 52.037 -0.139 0.000 0.631 244 A CB -1.586 17.318 19.000 -0.159 0.000 0.814 244 A HN 0.442 nan 8.150 nan 0.000 0.446 245 P HA -0.073 nan 4.420 nan 0.000 0.222 245 P C 0.282 177.196 177.300 -0.643 0.000 1.147 245 P CA 0.774 63.511 63.100 -0.606 0.000 0.790 245 P CB -0.089 31.089 31.700 -0.870 0.000 0.780 246 F N -2.151 117.796 119.950 -0.004 0.000 2.641 246 F HA 0.282 4.809 4.527 -0.000 0.000 0.302 246 F C 0.720 176.516 175.800 -0.007 0.000 1.098 246 F CA -0.762 57.239 58.000 0.001 0.000 1.318 246 F CB -1.372 37.631 39.000 0.006 0.000 1.035 246 F HN -0.156 nan 8.300 nan 0.000 0.551 247 N N 1.565 120.287 118.700 0.036 0.000 2.714 247 N HA -0.252 4.488 4.740 -0.000 0.000 0.253 247 N C -0.441 175.076 175.510 0.012 0.000 1.024 247 N CA 0.035 53.090 53.050 0.009 0.000 0.726 247 N CB -1.228 37.269 38.487 0.016 0.000 0.908 247 N HN 0.311 nan 8.380 nan 0.000 0.542 248 L N 0.725 121.961 121.223 0.021 0.000 2.513 248 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 248 L C 1.667 178.490 176.870 -0.079 0.000 1.187 248 L CA 0.697 55.525 54.840 -0.020 0.000 0.895 248 L CB 0.447 42.512 42.059 0.009 0.000 1.147 248 L HN 0.348 nan 8.230 nan 0.000 0.483 249 K N 4.223 124.518 120.400 -0.174 0.000 2.025 249 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 249 K C -0.513 176.094 176.600 0.013 0.000 1.049 249 K CA 1.551 57.725 56.287 -0.190 0.000 0.933 249 K CB 0.119 32.370 32.500 -0.416 0.000 0.714 249 K HN 0.767 nan 8.250 nan 0.000 0.438 250 W N -0.830 120.401 121.300 -0.114 0.000 3.137 250 W HA 0.469 5.129 4.660 0.000 0.000 0.324 250 W C -1.913 174.602 176.519 -0.008 0.000 1.253 250 W CA -1.263 56.044 57.345 -0.062 0.000 1.183 250 W CB 0.379 29.799 29.460 -0.067 0.000 1.424 250 W HN -0.195 nan 8.180 nan 0.000 0.566 251 I N 2.694 123.499 120.570 0.391 0.000 2.389 251 I HA 0.357 4.527 4.170 -0.000 0.000 0.288 251 I C -0.640 175.731 176.117 0.423 0.000 0.999 251 I CA -0.693 60.791 61.300 0.307 0.000 1.129 251 I CB 1.350 39.464 38.000 0.190 0.000 1.288 251 I HN 0.700 nan 8.210 nan 0.000 0.444 252 E N 6.798 127.278 120.200 0.466 0.000 2.191 252 E HA 0.171 4.521 4.350 -0.000 0.000 0.278 252 E C -0.179 176.640 176.600 0.364 0.000 0.972 252 E CA -0.482 56.179 56.400 0.434 0.000 0.804 252 E CB 1.106 31.144 29.700 0.564 0.000 1.110 252 E HN 0.662 nan 8.360 nan 0.000 0.394 253 E N 2.991 123.401 120.200 0.351 0.000 2.183 253 E HA -0.297 4.053 4.350 -0.000 0.000 0.196 253 E C -0.118 176.674 176.600 0.320 0.000 1.364 253 E CA 0.238 56.863 56.400 0.374 0.000 0.700 253 E CB -1.298 28.587 29.700 0.308 0.000 1.106 253 E HN 0.704 nan 8.360 nan 0.000 0.347 254 C N 0.705 120.184 119.300 0.298 0.000 2.432 254 C HA 0.042 4.502 4.460 -0.000 0.000 0.280 254 C C 1.176 176.180 174.990 0.023 0.000 1.353 254 C CA 0.316 59.427 59.018 0.155 0.000 1.766 254 C CB -0.656 27.150 27.740 0.109 0.000 1.924 254 C HN 0.387 nan 8.230 nan 0.000 0.509 255 L N -0.695 120.472 121.223 -0.093 0.000 2.323 255 L HA 0.467 4.807 4.340 -0.000 0.000 0.265 255 L C -2.628 174.208 176.870 -0.057 0.000 1.012 255 L CA -2.144 52.570 54.840 -0.211 0.000 0.820 255 L CB 0.586 42.284 42.059 -0.602 0.000 1.334 255 L HN -0.360 nan 8.230 nan 0.000 0.427 256 P HA 0.075 nan 4.420 nan 0.000 0.268 256 P C -2.082 175.160 177.300 -0.097 0.000 1.208 256 P CA -0.818 62.194 63.100 -0.147 0.000 0.777 256 P CB 0.179 31.776 31.700 -0.172 0.000 0.875 257 P HA -0.237 nan 4.420 nan 0.000 0.216 257 P C 1.099 178.148 177.300 -0.419 0.000 1.154 257 P CA 1.734 64.600 63.100 -0.391 0.000 0.865 257 P CB -0.126 31.187 31.700 -0.646 0.000 0.789 258 Q N -0.774 118.820 119.800 -0.343 0.000 2.291 258 Q HA -0.088 4.252 4.340 -0.000 0.000 0.205 258 Q C 1.077 176.862 176.000 -0.358 0.000 0.970 258 Q CA 0.904 56.499 55.803 -0.346 0.000 0.876 258 Q CB -0.875 27.769 28.738 -0.156 0.000 0.935 258 Q HN 0.474 nan 8.270 nan 0.000 0.455 259 Q N 0.151 119.808 119.800 -0.238 0.000 3.141 259 Q HA 0.009 4.349 4.340 -0.000 0.000 0.304 259 Q C -0.041 175.966 176.000 0.011 0.000 1.305 259 Q CA -0.203 55.529 55.803 -0.118 0.000 0.929 259 Q CB -0.149 28.503 28.738 -0.145 0.000 1.701 259 Q HN 0.429 nan 8.270 nan 0.000 0.483 260 Y N 0.544 120.955 120.300 0.185 0.000 2.128 260 Y HA -0.280 4.270 4.550 0.000 0.000 0.284 260 Y C 1.852 177.838 175.900 0.143 0.000 1.154 260 Y CA 1.440 59.654 58.100 0.190 0.000 1.149 260 Y CB -0.028 38.484 38.460 0.086 0.000 0.976 260 Y HN 0.353 nan 8.280 nan 0.000 0.505 261 E N -0.503 119.839 120.200 0.236 0.000 2.118 261 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 261 E C 2.538 179.190 176.600 0.088 0.000 0.992 261 E CA 1.261 57.742 56.400 0.135 0.000 0.804 261 E CB -0.737 29.017 29.700 0.091 0.000 0.741 261 E HN 0.503 nan 8.360 nan 0.000 0.458 262 G N -0.607 108.215 108.800 0.037 0.000 2.408 262 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 262 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 262 G C 1.210 176.079 174.900 -0.051 0.000 1.150 262 G CA 0.487 45.557 45.100 -0.049 0.000 0.776 262 G HN 0.255 nan 8.290 nan 0.000 0.542 263 Y N 0.329 120.656 120.300 0.044 0.000 2.181 263 Y HA -0.078 4.472 4.550 0.000 0.000 0.288 263 Y C 3.000 178.930 175.900 0.051 0.000 1.146 263 Y CA 1.564 59.693 58.100 0.049 0.000 1.164 263 Y CB -0.039 38.453 38.460 0.053 0.000 0.982 263 Y HN 0.097 nan 8.280 nan 0.000 0.515 264 R N 0.842 121.467 120.500 0.209 0.000 2.083 264 R HA -0.249 4.091 4.340 -0.000 0.000 0.237 264 R C 2.189 178.544 176.300 0.093 0.000 1.137 264 R CA 2.074 58.252 56.100 0.129 0.000 0.951 264 R CB -0.310 30.051 30.300 0.101 0.000 0.851 264 R HN 0.458 nan 8.270 nan 0.000 0.434 265 E N 0.126 120.371 120.200 0.074 0.000 2.072 265 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 265 E C 1.995 178.628 176.600 0.056 0.000 0.985 265 E CA 1.149 57.580 56.400 0.051 0.000 0.801 265 E CB -0.152 29.567 29.700 0.032 0.000 0.750 265 E HN 0.320 nan 8.360 nan 0.000 0.452 266 L N 1.556 122.813 121.223 0.057 0.000 2.017 266 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 266 L C 2.278 179.203 176.870 0.093 0.000 1.073 266 L CA 2.143 57.023 54.840 0.067 0.000 0.745 266 L CB -0.664 41.423 42.059 0.048 0.000 0.894 266 L HN 0.036 nan 8.230 nan 0.000 0.432 267 K N -0.017 120.448 120.400 0.109 0.000 2.097 267 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 267 K C 2.160 178.802 176.600 0.069 0.000 1.049 267 K CA 1.590 57.932 56.287 0.092 0.000 0.933 267 K CB -0.251 32.304 32.500 0.091 0.000 0.717 267 K HN 0.369 nan 8.250 nan 0.000 0.442 268 R N -0.205 120.334 120.500 0.066 0.000 2.115 268 R HA -0.014 4.326 4.340 -0.000 0.000 0.230 268 R C 1.176 177.515 176.300 0.065 0.000 1.111 268 R CA 1.525 57.657 56.100 0.054 0.000 0.976 268 R CB -0.296 30.032 30.300 0.046 0.000 0.870 268 R HN 0.283 nan 8.270 nan 0.000 0.445 269 N N 0.100 118.848 118.700 0.081 0.000 2.336 269 N HA 0.094 4.834 4.740 -0.000 0.000 0.189 269 N C -0.388 175.239 175.510 0.195 0.000 1.113 269 N CA -0.017 53.104 53.050 0.119 0.000 0.858 269 N CB 0.662 39.208 38.487 0.097 0.000 0.970 269 N HN 0.153 nan 8.380 nan 0.000 0.471 270 A N 1.353 124.239 122.820 0.110 0.000 2.407 270 A HA 0.348 4.668 4.320 -0.000 0.000 0.248 270 A C -2.090 175.465 177.584 -0.049 0.000 1.082 270 A CA -0.926 51.131 52.037 0.034 0.000 0.785 270 A CB -0.098 18.916 19.000 0.025 0.000 1.020 270 A HN 0.021 nan 8.150 nan 0.000 0.489 271 P HA 0.235 nan 4.420 nan 0.000 0.266 271 P C -0.138 177.097 177.300 -0.108 0.000 1.195 271 P CA 0.395 63.309 63.100 -0.310 0.000 0.768 271 P CB 0.503 31.933 31.700 -0.450 0.000 0.838 272 A N 3.077 125.866 122.820 -0.052 0.000 2.566 272 A HA 0.373 4.693 4.320 -0.000 0.000 0.245 272 A C 1.627 179.187 177.584 -0.040 0.000 1.056 272 A CA 0.899 52.919 52.037 -0.028 0.000 0.757 272 A CB -1.437 17.555 19.000 -0.012 0.000 0.979 272 A HN 0.889 nan 8.150 nan 0.000 0.508 273 G N 1.372 110.154 108.800 -0.030 0.000 2.253 273 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.251 273 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.251 273 G C 0.402 175.281 174.900 -0.035 0.000 0.998 273 G CA 0.530 45.610 45.100 -0.033 0.000 0.621 273 G HN 1.105 nan 8.290 nan 0.000 0.524 274 M N 1.773 121.350 119.600 -0.038 0.000 2.216 274 M HA 0.701 5.181 4.480 -0.000 0.000 0.356 274 M C 0.682 176.992 176.300 0.018 0.000 1.205 274 M CA -0.294 54.994 55.300 -0.020 0.000 1.122 274 M CB 0.493 33.065 32.600 -0.047 0.000 1.571 274 M HN 0.253 nan 8.290 nan 0.000 0.464 275 M N 3.557 123.196 119.600 0.066 0.000 2.359 275 M HA 0.484 4.964 4.480 -0.000 0.000 0.322 275 M C -0.968 175.407 176.300 0.125 0.000 1.166 275 M CA -0.882 54.465 55.300 0.078 0.000 1.067 275 M CB 1.666 34.306 32.600 0.067 0.000 1.523 275 M HN 0.387 nan 8.290 nan 0.000 0.467 276 V N 0.924 120.885 119.914 0.077 0.000 2.540 276 V HA 0.626 4.746 4.120 -0.000 0.000 0.302 276 V C -0.043 176.066 176.094 0.025 0.000 1.035 276 V CA -0.551 61.818 62.300 0.114 0.000 0.873 276 V CB 1.819 33.724 31.823 0.137 0.000 0.992 276 V HN 1.024 nan 8.190 nan 0.000 0.428 277 T N 0.988 115.558 114.554 0.026 0.000 2.901 277 T HA 0.899 5.249 4.350 -0.000 0.000 0.293 277 T C -0.519 174.158 174.700 -0.037 0.000 1.084 277 T CA -0.600 61.431 62.100 -0.116 0.000 1.008 277 T CB 2.194 70.834 68.868 -0.380 0.000 1.170 277 T HN 0.860 nan 8.240 nan 0.000 0.509 278 S N -1.686 113.945 115.700 -0.114 0.000 2.663 278 S HA 0.663 5.133 4.470 -0.000 0.000 0.264 278 S C 0.373 174.955 174.600 -0.031 0.000 1.112 278 S CA 0.485 58.636 58.200 -0.082 0.000 0.823 278 S CB 0.768 63.700 63.200 -0.447 0.000 1.111 278 S HN 2.429 nan 8.310 nan 0.000 0.476 279 G N 1.261 110.131 108.800 0.117 0.000 2.480 279 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.193 279 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.193 279 G C 0.697 175.816 174.900 0.364 0.000 1.004 279 G CA 0.993 46.240 45.100 0.245 0.000 0.696 279 G HN 1.003 nan 8.290 nan 0.000 0.478 280 E N 0.060 120.399 120.200 0.232 0.000 2.204 280 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 280 E C 1.480 178.143 176.600 0.105 0.000 0.990 280 E CA 1.237 57.698 56.400 0.102 0.000 0.821 280 E CB -0.362 29.304 29.700 -0.056 0.000 0.750 280 E HN 0.586 nan 8.360 nan 0.000 0.477 281 H N -0.269 118.930 119.070 0.215 0.000 2.551 281 H HA 0.183 4.739 4.556 -0.000 0.000 0.271 281 H C 0.175 175.462 175.328 -0.068 0.000 0.984 281 H CA 0.045 56.130 56.048 0.062 0.000 1.164 281 H CB 0.185 29.855 29.762 -0.154 0.000 1.437 281 H HN 0.232 nan 8.280 nan 0.000 0.550 282 H N 0.133 119.255 119.070 0.087 0.000 2.551 282 H HA 0.409 4.965 4.556 0.000 0.000 0.358 282 H C 0.573 175.972 175.328 0.118 0.000 1.151 282 H CA 0.124 56.104 56.048 -0.113 0.000 1.374 282 H CB 1.828 31.179 29.762 -0.684 0.000 1.473 282 H HN 0.295 nan 8.280 nan 0.000 0.574 283 G N -0.034 108.890 108.800 0.208 0.000 2.659 283 G HA2 0.474 4.434 3.960 -0.000 0.000 0.296 283 G HA3 0.474 4.434 3.960 -0.000 0.000 0.296 283 G C -0.792 174.287 174.900 0.299 0.000 1.369 283 G CA -0.238 45.060 45.100 0.330 0.000 0.937 283 G HN 0.921 nan 8.290 nan 0.000 0.485 284 T N -1.507 113.243 114.554 0.328 0.000 0.541 284 T HA -0.199 4.151 4.350 -0.000 0.000 0.774 284 T C 0.717 175.623 174.700 0.343 0.000 0.992 284 T CA 0.420 62.668 62.100 0.247 0.000 4.077 284 T CB -0.838 68.110 68.868 0.132 0.000 2.303 284 T HN 1.775 nan 8.240 nan 0.000 0.398 285 L N 1.888 123.247 121.223 0.228 0.000 2.079 285 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 285 L C 2.727 179.705 176.870 0.179 0.000 1.081 285 L CA 2.292 57.249 54.840 0.196 0.000 0.752 285 L CB -0.961 41.156 42.059 0.097 0.000 0.896 285 L HN 0.854 nan 8.230 nan 0.000 0.433 286 Q N -0.868 119.000 119.800 0.113 0.000 2.170 286 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 286 Q C 2.357 178.368 176.000 0.019 0.000 0.976 286 Q CA 1.800 57.632 55.803 0.049 0.000 0.858 286 Q CB -0.436 28.316 28.738 0.023 0.000 0.907 286 Q HN 0.497 nan 8.270 nan 0.000 0.433 287 S N -0.268 115.465 115.700 0.054 0.000 2.383 287 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 287 S C 1.365 175.872 174.600 -0.156 0.000 1.026 287 S CA 0.761 58.947 58.200 -0.023 0.000 0.981 287 S CB -0.240 62.992 63.200 0.053 0.000 0.818 287 S HN 0.312 nan 8.310 nan 0.000 0.472 288 F N 1.831 121.773 119.950 -0.015 0.000 2.325 288 F HA 0.064 4.591 4.527 -0.000 0.000 0.299 288 F C 2.534 178.269 175.800 -0.109 0.000 1.090 288 F CA 0.574 58.530 58.000 -0.075 0.000 1.392 288 F CB -0.155 38.817 39.000 -0.048 0.000 1.053 288 F HN 0.055 nan 8.300 nan 0.000 0.521 289 R N 0.483 121.010 120.500 0.044 0.000 2.075 289 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 289 R C 1.791 178.022 176.300 -0.114 0.000 1.126 289 R CA 2.055 58.140 56.100 -0.026 0.000 0.963 289 R CB -1.001 29.282 30.300 -0.029 0.000 0.858 289 R HN 0.163 nan 8.270 nan 0.000 0.435 290 T N 2.227 116.651 114.554 -0.218 0.000 2.777 290 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 290 T C 1.771 176.245 174.700 -0.376 0.000 1.040 290 T CA 1.197 63.058 62.100 -0.399 0.000 1.141 290 T CB -0.253 68.168 68.868 -0.745 0.000 0.868 290 T HN 0.141 nan 8.240 nan 0.000 0.444 291 L N 1.540 122.582 121.223 -0.302 0.000 2.046 291 L HA 0.114 4.454 4.340 -0.000 0.000 0.208 291 L C 2.621 179.416 176.870 -0.124 0.000 1.077 291 L CA 1.792 56.530 54.840 -0.170 0.000 0.747 291 L CB -1.068 40.750 42.059 -0.403 0.000 0.896 291 L HN 0.221 nan 8.230 nan 0.000 0.432 292 A N -0.844 121.920 122.820 -0.094 0.000 1.940 292 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 292 A C 2.116 179.666 177.584 -0.057 0.000 1.176 292 A CA 1.845 53.846 52.037 -0.060 0.000 0.631 292 A CB -0.662 18.316 19.000 -0.036 0.000 0.814 292 A HN 0.625 nan 8.150 nan 0.000 0.446 293 E N -0.435 119.725 120.200 -0.068 0.000 2.478 293 E HA -0.084 4.266 4.350 -0.000 0.000 0.198 293 E C 1.781 178.367 176.600 -0.024 0.000 1.046 293 E CA 1.007 57.376 56.400 -0.051 0.000 0.870 293 E CB -0.237 29.423 29.700 -0.067 0.000 0.818 293 E HN 0.879 nan 8.360 nan 0.000 0.527 294 T N -3.253 111.297 114.554 -0.008 0.000 3.055 294 T HA 0.095 4.445 4.350 -0.000 0.000 0.265 294 T C 1.634 176.357 174.700 0.038 0.000 1.111 294 T CA 0.629 62.758 62.100 0.048 0.000 1.118 294 T CB 0.322 69.258 68.868 0.114 0.000 0.909 294 T HN 0.248 nan 8.240 nan 0.000 0.501 295 G N 2.041 110.845 108.800 0.006 0.000 2.176 295 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.232 295 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.232 295 G C 0.157 175.056 174.900 -0.001 0.000 0.986 295 G CA -0.157 44.945 45.100 0.003 0.000 0.643 295 G HN 1.086 nan 8.290 nan 0.000 0.522 296 I N -1.563 119.001 120.570 -0.011 0.000 2.872 296 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 296 I C 1.171 177.254 176.117 -0.056 0.000 1.216 296 I CA 0.179 61.463 61.300 -0.026 0.000 1.424 296 I CB 0.424 38.377 38.000 -0.079 0.000 1.351 296 I HN -0.002 nan 8.210 nan 0.000 0.592 297 D N 5.003 125.367 120.400 -0.060 0.000 2.117 297 D HA 0.056 4.696 4.640 -0.000 0.000 0.198 297 D C 0.542 176.767 176.300 -0.126 0.000 0.982 297 D CA 1.737 55.688 54.000 -0.081 0.000 0.828 297 D CB 0.244 41.002 40.800 -0.070 0.000 0.967 297 D HN 0.490 nan 8.370 nan 0.000 0.464 298 I N 0.720 121.184 120.570 -0.177 0.000 2.569 298 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 298 I C -0.440 175.565 176.117 -0.186 0.000 1.088 298 I CA -0.518 60.652 61.300 -0.218 0.000 1.047 298 I CB 2.439 40.226 38.000 -0.354 0.000 1.237 298 I HN -0.286 nan 8.210 nan 0.000 0.421 299 M N 5.278 124.806 119.600 -0.120 0.000 2.318 299 M HA 0.381 4.861 4.480 -0.000 0.000 0.347 299 M C -0.566 175.728 176.300 -0.009 0.000 1.175 299 M CA -0.328 54.957 55.300 -0.024 0.000 1.075 299 M CB 1.361 34.008 32.600 0.078 0.000 1.614 299 M HN 0.497 nan 8.290 nan 0.000 0.456 300 Q N 3.089 122.937 119.800 0.080 0.000 2.831 300 Q HA 0.301 4.641 4.340 -0.000 0.000 0.366 300 Q C -2.416 173.687 176.000 0.171 0.000 0.899 300 Q CA -1.714 54.146 55.803 0.095 0.000 0.987 300 Q CB 0.553 29.352 28.738 0.103 0.000 1.382 300 Q HN 0.355 nan 8.270 nan 0.000 0.403 301 P HA -0.080 nan 4.420 nan 0.000 0.269 301 P C -0.629 176.704 177.300 0.055 0.000 1.215 301 P CA 0.129 63.319 63.100 0.149 0.000 0.780 301 P CB 1.146 32.719 31.700 -0.212 0.000 0.898 302 D N 1.791 122.193 120.400 0.003 0.000 2.232 302 D HA 0.081 4.721 4.640 -0.000 0.000 0.242 302 D C 1.289 177.533 176.300 -0.094 0.000 1.093 302 D CA -0.578 53.298 54.000 -0.206 0.000 0.845 302 D CB 1.600 41.871 40.800 -0.882 0.000 1.124 302 D HN -0.036 nan 8.370 nan 0.000 0.467 303 V N 3.885 123.767 119.914 -0.052 0.000 2.469 303 V HA -0.139 3.981 4.120 -0.000 0.000 0.251 303 V C 2.228 178.320 176.094 -0.004 0.000 1.064 303 V CA 2.047 64.343 62.300 -0.007 0.000 1.066 303 V CB -0.433 31.398 31.823 0.013 0.000 0.667 303 V HN 0.750 nan 8.190 nan 0.000 0.461 304 G N -2.291 106.477 108.800 -0.055 0.000 2.985 304 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.209 304 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.209 304 G C 0.882 176.008 174.900 0.378 0.000 1.165 304 G CA 0.056 45.184 45.100 0.047 0.000 0.776 304 G HN 0.580 nan 8.290 nan 0.000 0.541 305 W N -1.021 120.325 121.300 0.076 0.000 2.782 305 W HA 0.192 4.852 4.660 -0.000 0.000 0.268 305 W C 2.135 178.721 176.519 0.111 0.000 1.043 305 W CA -0.533 56.860 57.345 0.080 0.000 1.387 305 W CB -1.215 28.284 29.460 0.064 0.000 0.904 305 W HN 0.243 nan 8.180 nan 0.000 0.625 306 C N -0.140 119.358 119.300 0.330 0.000 2.481 306 C HA 0.591 5.051 4.460 -0.000 0.000 0.275 306 C C 1.925 177.065 174.990 0.250 0.000 1.419 306 C CA 1.118 60.324 59.018 0.314 0.000 1.773 306 C CB -0.738 27.116 27.740 0.191 0.000 1.862 306 C HN 0.498 nan 8.230 nan 0.000 0.530 307 G N -0.997 107.933 108.800 0.217 0.000 2.672 307 G HA2 0.459 4.419 3.960 -0.000 0.000 0.197 307 G HA3 0.459 4.419 3.960 -0.000 0.000 0.197 307 G C 0.636 175.695 174.900 0.265 0.000 0.995 307 G CA 0.452 45.703 45.100 0.253 0.000 0.754 307 G HN 2.190 nan 8.290 nan 0.000 0.505 308 G N -1.061 107.828 108.800 0.148 0.000 2.434 308 G HA2 0.251 4.211 3.960 -0.000 0.000 0.671 308 G HA3 0.251 4.211 3.960 -0.000 0.000 0.671 308 G C 0.484 175.409 174.900 0.041 0.000 1.280 308 G CA -0.000 45.158 45.100 0.097 0.000 0.975 308 G HN 1.418 nan 8.290 nan 0.000 0.510 309 L N 0.195 121.447 121.223 0.049 0.000 2.093 309 L HA 0.116 4.456 4.340 -0.000 0.000 0.208 309 L C 2.957 179.792 176.870 -0.057 0.000 1.085 309 L CA 3.526 58.346 54.840 -0.034 0.000 0.755 309 L CB -1.026 40.928 42.059 -0.174 0.000 0.904 309 L HN 0.819 nan 8.230 nan 0.000 0.435 310 T N -0.977 113.581 114.554 0.007 0.000 2.720 310 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 310 T C 1.685 176.317 174.700 -0.112 0.000 1.037 310 T CA 2.044 64.121 62.100 -0.038 0.000 1.144 310 T CB -0.482 68.223 68.868 -0.272 0.000 0.864 310 T HN 0.459 nan 8.240 nan 0.000 0.444 311 T N 1.902 116.380 114.554 -0.126 0.000 2.896 311 T HA 0.083 4.433 4.350 -0.000 0.000 0.263 311 T C 1.879 176.536 174.700 -0.072 0.000 1.050 311 T CA 0.452 62.537 62.100 -0.025 0.000 1.140 311 T CB -0.365 68.553 68.868 0.084 0.000 0.877 311 T HN 0.123 nan 8.240 nan 0.000 0.457 312 L N 1.697 122.886 121.223 -0.057 0.000 2.012 312 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 312 L C 2.380 179.222 176.870 -0.047 0.000 1.073 312 L CA 1.598 56.404 54.840 -0.057 0.000 0.748 312 L CB -0.799 41.290 42.059 0.049 0.000 0.891 312 L HN 0.064 nan 8.230 nan 0.000 0.431 313 V N -0.135 119.800 119.914 0.035 0.000 2.469 313 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 313 V C 2.469 178.473 176.094 -0.150 0.000 1.064 313 V CA 2.074 64.379 62.300 0.007 0.000 1.066 313 V CB -0.743 31.123 31.823 0.072 0.000 0.667 313 V HN 0.548 nan 8.190 nan 0.000 0.461 314 E N -0.112 120.023 120.200 -0.108 0.000 2.107 314 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 314 E C 2.189 178.688 176.600 -0.168 0.000 0.982 314 E CA 1.175 57.511 56.400 -0.107 0.000 0.809 314 E CB -0.150 29.521 29.700 -0.048 0.000 0.756 314 E HN 0.551 nan 8.360 nan 0.000 0.459 315 I N 1.435 121.869 120.570 -0.227 0.000 2.226 315 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 315 I C 2.588 178.516 176.117 -0.315 0.000 1.100 315 I CA 0.894 62.017 61.300 -0.295 0.000 1.374 315 I CB -0.340 37.351 38.000 -0.515 0.000 1.057 315 I HN 0.073 nan 8.210 nan 0.000 0.413 316 A N 0.852 123.406 122.820 -0.444 0.000 1.940 316 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 316 A C 2.539 179.865 177.584 -0.430 0.000 1.176 316 A CA 1.976 53.640 52.037 -0.621 0.000 0.631 316 A CB -0.775 17.350 19.000 -1.458 0.000 0.814 316 A HN 0.445 nan 8.150 nan 0.000 0.446 317 A N -0.547 122.072 122.820 -0.335 0.000 1.898 317 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 317 A C 2.110 179.601 177.584 -0.155 0.000 1.181 317 A CA 1.626 53.537 52.037 -0.211 0.000 0.620 317 A CB -0.589 18.322 19.000 -0.149 0.000 0.819 317 A HN 0.752 nan 8.150 nan 0.000 0.442 318 L N 0.000 121.136 121.223 -0.146 0.000 2.012 318 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 318 L C 2.585 179.394 176.870 -0.103 0.000 1.073 318 L CA 2.457 57.237 54.840 -0.100 0.000 0.748 318 L CB -0.954 41.059 42.059 -0.077 0.000 0.891 318 L HN 0.319 nan 8.230 nan 0.000 0.431 319 A N -0.579 122.161 122.820 -0.133 0.000 1.898 319 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 319 A C 2.465 179.978 177.584 -0.119 0.000 1.181 319 A CA 1.864 53.828 52.037 -0.123 0.000 0.620 319 A CB -0.670 18.241 19.000 -0.149 0.000 0.819 319 A HN 0.537 nan 8.150 nan 0.000 0.442 320 K N 0.510 120.824 120.400 -0.144 0.000 2.103 320 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 320 K C 2.218 178.766 176.600 -0.085 0.000 1.048 320 K CA 1.841 58.056 56.287 -0.119 0.000 0.930 320 K CB -0.212 32.205 32.500 -0.139 0.000 0.716 320 K HN 0.608 nan 8.250 nan 0.000 0.444 321 S N 0.284 115.935 115.700 -0.082 0.000 2.419 321 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 321 S C 1.588 176.157 174.600 -0.051 0.000 1.016 321 S CA 0.739 58.903 58.200 -0.060 0.000 0.974 321 S CB -0.216 62.950 63.200 -0.056 0.000 0.786 321 S HN 0.351 nan 8.310 nan 0.000 0.492 322 R N 0.729 121.194 120.500 -0.057 0.000 2.334 322 R HA 0.318 4.658 4.340 -0.000 0.000 0.220 322 R C 1.334 177.605 176.300 -0.048 0.000 0.917 322 R CA 0.331 56.402 56.100 -0.048 0.000 1.073 322 R CB -0.170 30.100 30.300 -0.050 0.000 1.056 322 R HN 0.548 nan 8.270 nan 0.000 0.506 323 G N 1.463 110.232 108.800 -0.051 0.000 2.179 323 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 323 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 323 G C -0.122 174.746 174.900 -0.054 0.000 1.010 323 G CA 0.265 45.337 45.100 -0.047 0.000 0.736 323 G HN 0.379 nan 8.290 nan 0.000 0.513 324 Q N -1.140 118.619 119.800 -0.069 0.000 2.297 324 Q HA 0.779 5.119 4.340 -0.000 0.000 0.269 324 Q C 0.534 176.471 176.000 -0.105 0.000 1.051 324 Q CA -0.995 54.760 55.803 -0.081 0.000 0.869 324 Q CB 1.641 30.330 28.738 -0.082 0.000 1.346 324 Q HN 0.318 nan 8.270 nan 0.000 0.457 325 L N 0.376 121.526 121.223 -0.121 0.000 2.416 325 L HA 0.618 4.958 4.340 -0.000 0.000 0.262 325 L C -0.540 176.221 176.870 -0.182 0.000 1.093 325 L CA -1.007 53.738 54.840 -0.159 0.000 0.801 325 L CB 1.096 43.041 42.059 -0.191 0.000 1.191 325 L HN 0.276 nan 8.230 nan 0.000 0.459 326 V N 1.628 121.425 119.914 -0.196 0.000 2.525 326 V HA 0.379 4.499 4.120 -0.000 0.000 0.299 326 V C -0.496 175.500 176.094 -0.163 0.000 1.034 326 V CA -0.552 61.644 62.300 -0.174 0.000 0.863 326 V CB 2.080 33.793 31.823 -0.183 0.000 0.999 326 V HN 0.419 nan 8.190 nan 0.000 0.423 327 V N 6.786 126.607 119.914 -0.155 0.000 2.385 327 V HA 0.354 4.474 4.120 -0.000 0.000 0.277 327 V C -2.150 173.952 176.094 0.014 0.000 1.012 327 V CA -1.568 60.666 62.300 -0.110 0.000 0.832 327 V CB 1.724 33.443 31.823 -0.174 0.000 1.028 327 V HN 0.712 nan 8.190 nan 0.000 0.436 328 P HA -0.044 nan 4.420 nan 0.000 0.269 328 P C -0.459 176.906 177.300 0.109 0.000 1.217 328 P CA 0.064 63.207 63.100 0.072 0.000 0.783 328 P CB 0.620 32.359 31.700 0.066 0.000 0.898 329 H N 1.580 120.633 119.070 -0.029 0.000 2.782 329 H HA 0.212 4.768 4.556 -0.000 0.000 0.285 329 H C 1.353 176.572 175.328 -0.182 0.000 1.093 329 H CA 0.928 56.924 56.048 -0.087 0.000 1.410 329 H CB -0.376 29.287 29.762 -0.165 0.000 1.439 329 H HN 0.779 nan 8.280 nan 0.000 0.469 330 G N 4.288 112.860 108.800 -0.380 0.000 2.698 330 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.337 330 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.337 330 G C 0.747 175.600 174.900 -0.078 0.000 1.286 330 G CA 1.802 46.708 45.100 -0.323 0.000 1.000 330 G HN 1.236 nan 8.290 nan 0.000 0.547 331 S N -1.839 113.864 115.700 0.006 0.000 2.857 331 S HA -0.211 4.259 4.470 -0.000 0.000 0.268 331 S C 1.638 176.233 174.600 -0.008 0.000 1.297 331 S CA 1.940 60.236 58.200 0.161 0.000 1.280 331 S CB -1.766 61.523 63.200 0.148 0.000 1.562 331 S HN 2.720 nan 8.310 nan 0.000 0.661 332 S N -0.353 115.142 115.700 -0.341 0.000 3.736 332 S HA -0.365 4.105 4.470 -0.000 0.000 0.627 332 S C 1.506 175.499 174.600 -1.012 0.000 2.426 332 S CA 3.284 61.137 58.200 -0.578 0.000 4.022 332 S CB -1.307 61.671 63.200 -0.369 0.000 0.237 332 S HN 1.808 nan 8.310 nan 0.000 0.967 333 V N 0.083 119.579 119.914 -0.696 0.000 2.453 333 V HA -0.139 3.981 4.120 -0.000 0.000 0.252 333 V C 1.958 177.910 176.094 -0.237 0.000 1.068 333 V CA 2.762 64.834 62.300 -0.379 0.000 1.070 333 V CB -1.676 30.041 31.823 -0.176 0.000 0.664 333 V HN 0.748 nan 8.190 nan 0.000 0.461 334 Y N 1.103 121.248 120.300 -0.257 0.000 2.403 334 Y HA -0.023 4.527 4.550 -0.000 0.000 0.291 334 Y C 3.058 178.882 175.900 -0.127 0.000 1.143 334 Y CA 1.358 59.159 58.100 -0.499 0.000 1.257 334 Y CB -0.826 37.328 38.460 -0.509 0.000 0.984 334 Y HN 0.404 nan 8.280 nan 0.000 0.550 335 S N -1.484 114.221 115.700 0.009 0.000 2.460 335 S HA -0.072 4.398 4.470 -0.000 0.000 0.226 335 S C 1.660 176.320 174.600 0.100 0.000 1.057 335 S CA 0.432 58.661 58.200 0.049 0.000 0.948 335 S CB -0.407 62.830 63.200 0.062 0.000 0.822 335 S HN 0.588 nan 8.310 nan 0.000 0.512 336 H N 0.160 119.271 119.070 0.069 0.000 2.319 336 H HA -0.110 4.446 4.556 -0.000 0.000 0.297 336 H C 2.010 177.270 175.328 -0.113 0.000 1.097 336 H CA 1.875 57.915 56.048 -0.012 0.000 1.285 336 H CB -0.310 29.463 29.762 0.017 0.000 1.368 336 H HN 0.487 nan 8.280 nan 0.000 0.495 337 H N -0.197 118.974 119.070 0.169 0.000 2.491 337 H HA -0.003 4.553 4.556 -0.000 0.000 0.290 337 H C 2.227 177.520 175.328 -0.059 0.000 1.050 337 H CA 0.859 56.978 56.048 0.118 0.000 1.309 337 H CB 0.185 30.082 29.762 0.225 0.000 1.392 337 H HN 0.459 nan 8.280 nan 0.000 0.554 338 A N 0.739 123.517 122.820 -0.070 0.000 1.871 338 A HA -0.046 4.274 4.320 -0.000 0.000 0.211 338 A C 2.612 179.538 177.584 -1.097 0.000 1.207 338 A CA 1.093 52.836 52.037 -0.490 0.000 0.620 338 A CB -0.776 18.009 19.000 -0.359 0.000 0.860 338 A HN 0.251 nan 8.150 nan 0.000 0.450 339 V N -1.595 117.874 119.914 -0.740 0.000 2.759 339 V HA -0.091 4.029 4.120 -0.000 0.000 0.256 339 V C 2.080 177.938 176.094 -0.394 0.000 1.080 339 V CA 1.760 63.684 62.300 -0.626 0.000 1.101 339 V CB -0.800 30.896 31.823 -0.210 0.000 0.698 339 V HN 0.453 nan 8.190 nan 0.000 0.477 340 I N 2.047 122.413 120.570 -0.340 0.000 2.916 340 I HA -0.134 4.036 4.170 -0.000 0.000 0.267 340 I C 2.174 178.166 176.117 -0.208 0.000 1.263 340 I CA 1.676 62.807 61.300 -0.282 0.000 1.471 340 I CB 0.028 37.799 38.000 -0.382 0.000 1.089 340 I HN 0.653 nan 8.210 nan 0.000 0.468 341 T N -2.729 111.683 114.554 -0.237 0.000 3.054 341 T HA 0.167 4.517 4.350 -0.000 0.000 0.255 341 T C 0.265 175.034 174.700 0.115 0.000 1.035 341 T CA -0.343 61.716 62.100 -0.069 0.000 0.941 341 T CB -0.226 68.618 68.868 -0.040 0.000 1.026 341 T HN -0.076 nan 8.240 nan 0.000 0.533 342 F N 3.580 123.497 119.950 -0.057 0.000 2.411 342 F HA 0.401 4.928 4.527 0.000 0.000 0.355 342 F C 1.945 177.702 175.800 -0.071 0.000 1.117 342 F CA -1.727 56.232 58.000 -0.067 0.000 1.139 342 F CB 1.201 40.149 39.000 -0.087 0.000 1.120 342 F HN 0.178 nan 8.300 nan 0.000 0.493 343 T N -1.643 112.984 114.554 0.122 0.000 2.915 343 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 343 T C 0.993 175.699 174.700 0.011 0.000 1.071 343 T CA 1.182 63.307 62.100 0.042 0.000 1.132 343 T CB -0.309 68.569 68.868 0.016 0.000 0.878 343 T HN 0.484 nan 8.240 nan 0.000 0.479 344 N N 0.766 119.460 118.700 -0.009 0.000 2.327 344 N HA 0.084 4.824 4.740 -0.000 0.000 0.231 344 N C -0.663 174.795 175.510 -0.087 0.000 1.130 344 N CA -0.341 52.670 53.050 -0.063 0.000 0.845 344 N CB 0.092 38.513 38.487 -0.109 0.000 1.073 344 N HN 0.234 nan 8.380 nan 0.000 0.496 345 T N 1.634 116.163 114.554 -0.041 0.000 3.317 345 T HA 0.289 4.639 4.350 -0.000 0.000 0.361 345 T C -2.105 172.502 174.700 -0.155 0.000 1.499 345 T CA -1.008 61.021 62.100 -0.118 0.000 1.529 345 T CB 1.880 70.771 68.868 0.038 0.000 0.997 345 T HN -0.028 nan 8.240 nan 0.000 0.624 346 P HA 0.031 nan 4.420 nan 0.000 0.222 346 P C -0.025 177.351 177.300 0.127 0.000 1.147 346 P CA 0.900 63.996 63.100 -0.006 0.000 0.790 346 P CB -0.008 31.767 31.700 0.126 0.000 0.780 347 F N -5.176 114.825 119.950 0.085 0.000 2.741 347 F HA 0.728 5.255 4.527 0.000 0.000 0.313 347 F C -0.634 175.187 175.800 0.034 0.000 1.153 347 F CA -1.262 56.777 58.000 0.065 0.000 0.931 347 F CB 0.551 39.726 39.000 0.293 0.000 1.335 347 F HN -0.521 nan 8.300 nan 0.000 0.460 348 S N -0.691 115.079 115.700 0.117 0.000 2.704 348 S HA 0.504 4.974 4.470 -0.000 0.000 0.296 348 S C -1.605 173.087 174.600 0.153 0.000 1.138 348 S CA -0.924 57.291 58.200 0.026 0.000 0.875 348 S CB 2.163 65.168 63.200 -0.325 0.000 1.151 348 S HN 0.817 nan 8.310 nan 0.000 0.500 349 E N 0.302 120.550 120.200 0.081 0.000 2.191 349 E HA 0.504 4.854 4.350 -0.000 0.000 0.274 349 E C -1.830 174.810 176.600 0.067 0.000 0.948 349 E CA -0.503 55.694 56.400 -0.340 0.000 0.802 349 E CB 0.924 30.397 29.700 -0.379 0.000 1.137 349 E HN 0.458 nan 8.360 nan 0.000 0.397 350 F N 5.792 125.576 119.950 -0.276 0.000 2.496 350 F HA 0.324 4.851 4.527 -0.000 0.000 0.341 350 F C -1.653 173.957 175.800 -0.317 0.000 1.134 350 F CA -1.072 56.770 58.000 -0.263 0.000 0.968 350 F CB 1.032 39.838 39.000 -0.323 0.000 1.205 350 F HN 0.398 nan 8.300 nan 0.000 0.436 351 L N 7.261 128.034 121.223 -0.751 0.000 2.260 351 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 351 L C -0.386 176.200 176.870 -0.474 0.000 1.057 351 L CA -0.364 54.191 54.840 -0.475 0.000 0.811 351 L CB 0.621 42.409 42.059 -0.451 0.000 1.184 351 L HN 0.522 nan 8.230 nan 0.000 0.429 352 M N 4.718 124.246 119.600 -0.119 0.000 2.356 352 M HA 0.042 4.522 4.480 -0.000 0.000 0.348 352 M C 1.216 177.761 176.300 0.408 0.000 1.595 352 M CA 0.393 55.753 55.300 0.099 0.000 1.095 352 M CB 0.233 32.841 32.600 0.014 0.000 1.963 352 M HN 0.796 nan 8.290 nan 0.000 0.459 353 T N -1.239 113.467 114.554 0.253 0.000 3.044 353 T HA 0.041 4.391 4.350 -0.000 0.000 0.250 353 T C 0.977 175.927 174.700 0.418 0.000 1.081 353 T CA -0.092 62.220 62.100 0.353 0.000 1.040 353 T CB 0.117 69.099 68.868 0.190 0.000 0.962 353 T HN 0.587 nan 8.240 nan 0.000 0.506 354 S N 2.786 118.657 115.700 0.285 0.000 2.537 354 S HA 0.175 4.645 4.470 -0.000 0.000 0.286 354 S C -1.464 173.145 174.600 0.015 0.000 1.299 354 S CA -1.156 57.135 58.200 0.153 0.000 1.067 354 S CB 0.896 64.175 63.200 0.132 0.000 0.864 354 S HN 0.029 nan 8.310 nan 0.000 0.494 355 P HA -0.137 nan 4.420 nan 0.000 0.216 355 P C 0.407 177.630 177.300 -0.128 0.000 1.154 355 P CA 1.473 64.244 63.100 -0.549 0.000 0.865 355 P CB -0.001 31.564 31.700 -0.225 0.000 0.789 356 D N -3.119 117.275 120.400 -0.011 0.000 2.462 356 D HA 0.053 4.693 4.640 -0.000 0.000 0.221 356 D C -0.193 176.102 176.300 -0.007 0.000 1.173 356 D CA -0.680 53.339 54.000 0.032 0.000 0.831 356 D CB -1.397 39.413 40.800 0.016 0.000 1.001 356 D HN 0.062 nan 8.370 nan 0.000 0.499 357 C N 0.891 120.181 119.300 -0.016 0.000 4.274 357 C HA -0.157 4.303 4.460 -0.000 0.000 0.297 357 C C 1.879 176.854 174.990 -0.025 0.000 1.446 357 C CA 0.920 59.888 59.018 -0.084 0.000 2.016 357 C CB -3.299 24.265 27.740 -0.293 0.000 1.273 357 C HN 0.626 nan 8.230 nan 0.000 0.782 358 S N -1.460 114.247 115.700 0.011 0.000 2.511 358 S HA 0.303 4.773 4.470 -0.000 0.000 0.214 358 S C 0.462 175.083 174.600 0.035 0.000 0.997 358 S CA 0.799 59.007 58.200 0.015 0.000 0.908 358 S CB 0.378 63.582 63.200 0.007 0.000 0.803 358 S HN 1.106 nan 8.310 nan 0.000 0.504 359 T N -1.046 113.545 114.554 0.062 0.000 2.865 359 T HA 0.635 4.985 4.350 -0.000 0.000 0.294 359 T C -0.409 174.366 174.700 0.126 0.000 1.119 359 T CA -0.994 61.149 62.100 0.071 0.000 1.007 359 T CB 1.033 69.936 68.868 0.060 0.000 1.225 359 T HN 0.106 nan 8.240 nan 0.000 0.515 360 L N 1.280 122.562 121.223 0.098 0.000 2.865 360 L HA 0.364 4.704 4.340 -0.000 0.000 0.233 360 L C 1.183 178.173 176.870 0.199 0.000 1.320 360 L CA -0.645 54.274 54.840 0.131 0.000 1.225 360 L CB -0.321 41.712 42.059 -0.043 0.000 1.542 360 L HN 0.577 nan 8.230 nan 0.000 0.432 361 R N 1.994 122.630 120.500 0.225 0.000 2.522 361 R HA 0.127 4.467 4.340 -0.000 0.000 0.284 361 R C -2.177 174.275 176.300 0.252 0.000 1.032 361 R CA -1.261 54.955 56.100 0.194 0.000 1.049 361 R CB 0.516 30.919 30.300 0.172 0.000 0.956 361 R HN 0.024 nan 8.270 nan 0.000 0.422 362 P HA -0.103 nan 4.420 nan 0.000 0.264 362 P C -0.202 177.159 177.300 0.103 0.000 1.179 362 P CA 0.152 63.366 63.100 0.190 0.000 0.763 362 P CB 0.635 32.426 31.700 0.151 0.000 0.806 363 Q N 2.479 122.268 119.800 -0.018 0.000 2.112 363 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 363 Q C 0.563 176.422 176.000 -0.234 0.000 0.987 363 Q CA 2.124 57.739 55.803 -0.313 0.000 0.858 363 Q CB -0.421 27.994 28.738 -0.538 0.000 0.905 363 Q HN 0.438 nan 8.270 nan 0.000 0.420 364 F N 0.174 120.154 119.950 0.051 0.000 2.708 364 F HA 0.275 4.801 4.527 -0.000 0.000 0.300 364 F C -0.303 175.527 175.800 0.051 0.000 1.118 364 F CA -1.268 56.751 58.000 0.032 0.000 1.307 364 F CB -0.239 38.786 39.000 0.042 0.000 0.986 364 F HN -0.020 nan 8.300 nan 0.000 0.522 365 D N 2.744 123.272 120.400 0.214 0.000 2.533 365 D HA -0.029 4.611 4.640 -0.000 0.000 0.236 365 D C -1.757 174.626 176.300 0.139 0.000 1.137 365 D CA -0.532 53.563 54.000 0.159 0.000 0.867 365 D CB 1.003 41.883 40.800 0.134 0.000 1.170 365 D HN 0.045 nan 8.370 nan 0.000 0.474 366 P HA 0.129 nan 4.420 nan 0.000 0.290 366 P C 0.926 178.270 177.300 0.074 0.000 1.519 366 P CA -0.261 62.890 63.100 0.085 0.000 1.189 366 P CB 0.235 31.964 31.700 0.050 0.000 1.569 367 I N -0.086 120.540 120.570 0.093 0.000 2.614 367 I HA -0.055 4.115 4.170 -0.000 0.000 0.258 367 I C 0.280 176.471 176.117 0.123 0.000 1.189 367 I CA 1.056 62.402 61.300 0.076 0.000 1.462 367 I CB -0.243 37.799 38.000 0.070 0.000 1.092 367 I HN -0.145 nan 8.210 nan 0.000 0.442 368 L N 0.929 122.259 121.223 0.178 0.000 2.296 368 L HA 0.376 4.716 4.340 -0.000 0.000 0.286 368 L C -0.449 176.519 176.870 0.163 0.000 1.023 368 L CA -0.253 54.723 54.840 0.227 0.000 0.812 368 L CB 1.218 43.436 42.059 0.266 0.000 1.223 368 L HN -0.083 nan 8.230 nan 0.000 0.421 369 L N 3.262 124.574 121.223 0.150 0.000 2.350 369 L HA 0.263 4.603 4.340 -0.000 0.000 0.275 369 L C 0.434 177.377 176.870 0.121 0.000 1.099 369 L CA -0.397 54.505 54.840 0.103 0.000 0.808 369 L CB 0.422 42.521 42.059 0.066 0.000 1.149 369 L HN 0.669 nan 8.230 nan 0.000 0.442 370 D N 1.104 121.562 120.400 0.096 0.000 2.800 370 D HA -0.202 4.438 4.640 -0.000 0.000 0.232 370 D C 0.197 176.563 176.300 0.111 0.000 1.137 370 D CA 0.772 54.829 54.000 0.095 0.000 0.718 370 D CB -0.323 40.535 40.800 0.097 0.000 1.084 370 D HN 0.565 nan 8.370 nan 0.000 0.432 371 E N 0.872 121.143 120.200 0.118 0.000 2.217 371 E HA 0.195 4.545 4.350 -0.000 0.000 0.279 371 E C -1.943 174.726 176.600 0.115 0.000 1.068 371 E CA -1.562 54.915 56.400 0.128 0.000 0.882 371 E CB 0.720 30.508 29.700 0.148 0.000 1.039 371 E HN 0.185 nan 8.360 nan 0.000 0.418 372 P HA 0.038 nan 4.420 nan 0.000 0.274 372 P C -0.714 176.641 177.300 0.090 0.000 1.231 372 P CA -0.273 62.884 63.100 0.095 0.000 0.790 372 P CB 1.062 32.825 31.700 0.105 0.000 0.951 373 V N -1.615 118.302 119.914 0.005 0.000 3.040 373 V HA 0.618 4.738 4.120 -0.000 0.000 0.312 373 V C -2.856 173.091 176.094 -0.246 0.000 1.115 373 V CA -3.056 59.190 62.300 -0.090 0.000 0.998 373 V CB 1.076 32.858 31.823 -0.068 0.000 1.042 373 V HN 0.289 nan 8.190 nan 0.000 0.433 374 P HA 0.323 nan 4.420 nan 0.000 0.268 374 P C -0.860 176.211 177.300 -0.381 0.000 1.205 374 P CA 0.026 62.839 63.100 -0.478 0.000 0.771 374 P CB 0.781 32.037 31.700 -0.739 0.000 0.858 375 V N 3.847 123.597 119.914 -0.273 0.000 2.378 375 V HA 0.272 4.392 4.120 -0.000 0.000 0.288 375 V C 0.501 176.451 176.094 -0.242 0.000 1.016 375 V CA -0.382 61.782 62.300 -0.227 0.000 0.840 375 V CB 0.602 32.339 31.823 -0.143 0.000 0.994 375 V HN 0.775 nan 8.190 nan 0.000 0.431 376 N N 4.412 122.937 118.700 -0.291 0.000 2.740 376 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 376 N C 0.985 176.292 175.510 -0.339 0.000 1.062 376 N CA 1.661 54.545 53.050 -0.276 0.000 0.704 376 N CB -1.043 37.342 38.487 -0.170 0.000 0.968 376 N HN 1.651 nan 8.380 nan 0.000 0.547 377 G N -0.976 107.457 108.800 -0.612 0.000 2.187 377 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.261 377 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.261 377 G C 0.154 174.976 174.900 -0.129 0.000 1.000 377 G CA 1.009 45.693 45.100 -0.693 0.000 0.718 377 G HN 0.803 nan 8.290 nan 0.000 0.519 378 R N -1.340 119.099 120.500 -0.103 0.000 2.808 378 R HA 0.783 5.122 4.340 -0.000 0.000 0.272 378 R C -0.660 175.668 176.300 0.048 0.000 0.995 378 R CA -0.992 55.159 56.100 0.086 0.000 0.917 378 R CB 1.687 31.992 30.300 0.008 0.000 1.217 378 R HN 0.131 nan 8.270 nan 0.000 0.471 379 I N 1.540 122.183 120.570 0.121 0.000 2.468 379 I HA 0.214 4.384 4.170 -0.000 0.000 0.284 379 I C -0.242 175.867 176.117 -0.015 0.000 1.038 379 I CA -0.661 60.654 61.300 0.025 0.000 1.083 379 I CB 1.455 39.444 38.000 -0.019 0.000 1.223 379 I HN 0.506 nan 8.210 nan 0.000 0.443 380 H N 6.809 125.826 119.070 -0.087 0.000 2.790 380 H HA 0.074 4.630 4.556 0.000 0.000 0.358 380 H C 0.813 176.057 175.328 -0.140 0.000 1.103 380 H CA 0.465 56.452 56.048 -0.100 0.000 1.426 380 H CB 1.513 31.232 29.762 -0.072 0.000 1.424 380 H HN 0.680 nan 8.280 nan 0.000 0.599 381 K N 1.302 121.336 120.400 -0.609 0.000 2.209 381 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 381 K C 1.813 178.296 176.600 -0.196 0.000 1.048 381 K CA 1.576 57.562 56.287 -0.502 0.000 0.940 381 K CB -0.083 32.057 32.500 -0.601 0.000 0.729 381 K HN 0.469 nan 8.250 nan 0.000 0.451 382 S N 1.026 116.760 115.700 0.056 0.000 2.419 382 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 382 S C 2.006 176.683 174.600 0.128 0.000 1.016 382 S CA 1.040 59.355 58.200 0.191 0.000 0.974 382 S CB -0.579 62.810 63.200 0.315 0.000 0.786 382 S HN 0.169 nan 8.310 nan 0.000 0.492 383 V N 1.616 121.587 119.914 0.094 0.000 2.759 383 V HA 0.050 4.170 4.120 -0.000 0.000 0.256 383 V C 2.022 178.160 176.094 0.074 0.000 1.080 383 V CA 1.257 63.597 62.300 0.067 0.000 1.101 383 V CB -0.752 31.096 31.823 0.040 0.000 0.698 383 V HN 0.546 nan 8.190 nan 0.000 0.477 384 L N -0.768 120.474 121.223 0.032 0.000 2.592 384 L HA 0.182 4.522 4.340 -0.000 0.000 0.227 384 L C 0.376 177.430 176.870 0.306 0.000 1.127 384 L CA 0.072 54.958 54.840 0.076 0.000 0.884 384 L CB -0.199 41.678 42.059 -0.303 0.000 1.065 384 L HN 0.208 nan 8.230 nan 0.000 0.457 385 D N 2.586 123.134 120.400 0.248 0.000 2.767 385 D HA 0.154 4.794 4.640 -0.000 0.000 0.231 385 D C 0.129 176.519 176.300 0.151 0.000 1.105 385 D CA 0.600 54.734 54.000 0.225 0.000 1.024 385 D CB 0.115 41.014 40.800 0.167 0.000 1.123 385 D HN 0.285 nan 8.370 nan 0.000 0.470 386 K N 0.330 120.834 120.400 0.173 0.000 2.512 386 K HA 0.441 4.761 4.320 -0.000 0.000 0.263 386 K C -2.777 173.867 176.600 0.074 0.000 0.966 386 K CA -2.069 54.287 56.287 0.115 0.000 0.851 386 K CB 2.293 34.873 32.500 0.134 0.000 1.395 386 K HN -0.185 nan 8.250 nan 0.000 0.440 387 P HA -0.051 nan 4.420 nan 0.000 0.266 387 P C 0.482 177.743 177.300 -0.064 0.000 1.195 387 P CA 0.992 64.078 63.100 -0.024 0.000 0.768 387 P CB 0.550 32.251 31.700 0.002 0.000 0.838 388 G N 2.548 111.247 108.800 -0.168 0.000 2.629 388 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.313 388 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.313 388 G C 0.388 174.920 174.900 -0.613 0.000 1.217 388 G CA 0.223 45.134 45.100 -0.314 0.000 0.994 388 G HN 0.442 nan 8.290 nan 0.000 0.549 389 F N 3.128 122.931 119.950 -0.245 0.000 2.660 389 F HA 0.446 4.973 4.527 -0.000 0.000 0.302 389 F C 2.133 177.866 175.800 -0.111 0.000 1.103 389 F CA 0.972 58.724 58.000 -0.413 0.000 1.340 389 F CB 0.373 39.215 39.000 -0.263 0.000 1.048 389 F HN 1.443 nan 8.300 nan 0.000 0.551 390 G N 0.943 109.799 108.800 0.092 0.000 2.180 390 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 390 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 390 G C 0.213 175.218 174.900 0.176 0.000 0.989 390 G CA 0.550 45.748 45.100 0.162 0.000 0.692 390 G HN 0.512 nan 8.290 nan 0.000 0.526 391 V N -4.577 115.455 119.914 0.196 0.000 3.158 391 V HA 0.974 5.094 4.120 -0.000 0.000 0.315 391 V C -0.193 176.148 176.094 0.413 0.000 1.148 391 V CA -1.353 61.096 62.300 0.248 0.000 1.042 391 V CB 2.085 34.042 31.823 0.223 0.000 1.101 391 V HN 0.245 nan 8.190 nan 0.000 0.448 392 E N 0.468 120.896 120.200 0.381 0.000 2.312 392 E HA 0.537 4.887 4.350 -0.000 0.000 0.267 392 E C -1.621 175.013 176.600 0.058 0.000 0.894 392 E CA -1.047 55.515 56.400 0.271 0.000 0.773 392 E CB 2.656 32.416 29.700 0.100 0.000 1.241 392 E HN 0.709 nan 8.360 nan 0.000 0.432 393 L N 2.665 123.543 121.223 -0.576 0.000 2.367 393 L HA 0.169 4.509 4.340 -0.000 0.000 0.275 393 L C -0.220 176.472 176.870 -0.297 0.000 1.129 393 L CA -0.068 54.370 54.840 -0.671 0.000 0.839 393 L CB 0.251 41.658 42.059 -1.086 0.000 1.133 393 L HN 0.383 nan 8.230 nan 0.000 0.453 394 N N 4.027 122.625 118.700 -0.170 0.000 2.555 394 N HA 0.128 4.868 4.740 -0.000 0.000 0.244 394 N C 0.507 175.903 175.510 -0.190 0.000 1.114 394 N CA 0.139 53.111 53.050 -0.130 0.000 0.963 394 N CB 0.165 38.617 38.487 -0.059 0.000 1.276 394 N HN 0.606 nan 8.380 nan 0.000 0.510 395 R N 1.404 121.769 120.500 -0.226 0.000 2.339 395 R HA -0.005 4.335 4.340 -0.000 0.000 0.199 395 R C 0.193 176.362 176.300 -0.219 0.000 1.018 395 R CA 0.381 56.320 56.100 -0.267 0.000 1.036 395 R CB 0.262 30.394 30.300 -0.281 0.000 0.899 395 R HN 0.457 nan 8.270 nan 0.000 0.473 396 D N -0.163 120.127 120.400 -0.185 0.000 2.312 396 D HA -0.031 4.609 4.640 -0.000 0.000 0.211 396 D C 0.166 176.290 176.300 -0.293 0.000 0.964 396 D CA 0.526 54.411 54.000 -0.191 0.000 0.877 396 D CB 0.197 40.914 40.800 -0.138 0.000 0.924 396 D HN 0.160 nan 8.370 nan 0.000 0.515 397 C N 0.661 119.804 119.300 -0.260 0.000 2.649 397 C HA 0.120 4.580 4.460 -0.000 0.000 0.377 397 C C 0.715 175.504 174.990 -0.336 0.000 1.321 397 C CA -0.639 58.203 59.018 -0.293 0.000 2.368 397 C CB 0.188 27.837 27.740 -0.152 0.000 2.597 397 C HN 0.373 nan 8.230 nan 0.000 0.678 398 H N 2.011 121.029 119.070 -0.087 0.000 2.855 398 H HA 0.228 4.784 4.556 -0.000 0.000 0.238 398 H C -0.191 175.046 175.328 -0.153 0.000 1.847 398 H CA -0.297 55.687 56.048 -0.108 0.000 1.368 398 H CB -0.425 29.288 29.762 -0.080 0.000 1.758 398 H HN 0.319 nan 8.280 nan 0.000 0.546 399 L N 1.939 123.096 121.223 -0.110 0.000 2.485 399 L HA 0.010 4.350 4.340 -0.000 0.000 0.275 399 L C 0.861 177.650 176.870 -0.136 0.000 1.207 399 L CA 0.822 55.564 54.840 -0.163 0.000 0.855 399 L CB 0.265 42.120 42.059 -0.340 0.000 1.114 399 L HN 0.249 nan 8.230 nan 0.000 0.485 400 K N 2.356 122.604 120.400 -0.254 0.000 2.203 400 K HA 0.607 4.927 4.320 -0.000 0.000 0.251 400 K C -0.487 176.099 176.600 -0.022 0.000 0.944 400 K CA -1.044 55.050 56.287 -0.321 0.000 0.829 400 K CB 1.904 33.840 32.500 -0.940 0.000 1.125 400 K HN 0.193 nan 8.250 nan 0.000 0.430 401 R N 2.892 123.427 120.500 0.060 0.000 2.494 401 R HA 0.200 4.540 4.340 -0.000 0.000 0.284 401 R C -1.879 174.430 176.300 0.014 0.000 1.525 401 R CA -1.608 54.545 56.100 0.088 0.000 1.460 401 R CB 0.388 30.753 30.300 0.107 0.000 1.134 401 R HN 0.412 nan 8.270 nan 0.000 0.592 402 P HA -0.050 nan 4.420 nan 0.000 0.223 402 P C -0.690 176.245 177.300 -0.608 0.000 1.151 402 P CA 1.010 63.935 63.100 -0.290 0.000 0.787 402 P CB 0.348 31.867 31.700 -0.302 0.000 0.788 403 Y N -1.434 118.915 120.300 0.081 0.000 2.581 403 Y HA 0.571 5.121 4.550 0.000 0.000 0.345 403 Y C 0.432 176.325 175.900 -0.011 0.000 1.036 403 Y CA -0.736 57.379 58.100 0.025 0.000 1.042 403 Y CB 1.917 40.374 38.460 -0.004 0.000 1.289 403 Y HN -0.283 nan 8.280 nan 0.000 0.471 404 S N 0.284 116.088 115.700 0.174 0.000 2.625 404 S HA 0.620 5.090 4.470 -0.000 0.000 0.271 404 S C -1.698 173.003 174.600 0.168 0.000 1.161 404 S CA -0.957 57.312 58.200 0.115 0.000 0.820 404 S CB 2.317 65.527 63.200 0.016 0.000 1.137 404 S HN 0.864 nan 8.310 nan 0.000 0.470 405 H N 0.000 119.033 119.070 -0.061 0.000 2.539 405 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 405 H CA 0.000 56.012 56.048 -0.060 0.000 1.023 405 H CB 0.000 29.716 29.762 -0.076 0.000 1.292 405 H HN 0.000 nan 8.280 nan 0.000 0.496